C41H43N3o9 Cytidine, N-Benzoyl-5'-o- [BIS (4-METHOXYPHENY) -2'-o- (MethOXyethyl) -5-Methyl- (9Ci, ACI) H335, H319, H315
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 721.80 | - |
| Melting Point (eksperiminteel) | 107-110 ° C | - |
| Tichtheid (foarsizze) | 1,26 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 8,60 ± 0,40 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1n = c (nc (= o) c = 2c = cc = c (cc = c (cv = c (cc = c (cv = c (cv = c (c6) c = c = c = c = c = c = c = c = c = c = c (o) c3occoc) c
Isomeryske glimkes
C (oc [c @ h] 1O [C @ h] (Occoc) (Occoc) [C.@) n = c (cv = c (c4) c = c (cv = c (cv = c = c = c = c6 = cv = c6
Inchi
Inchi = 1s / c41h43n3o9 / c1-27-25-44 (40 (47) 43-3-3-8-12-28) 39-36 (51-24-23-48-2) 35 (45) 34 (53-39) 26-52-41 (29-13
-9-6-10-14-29.30-15-19-32 (49-3) 20-16-21) 31-17-21-32 (50-3) 22-18-31 / H536,4,4,41-6,39,41- (T11 42,3,46,47) / T34-, 3 5-, 36-, 39- / m1 / S1
Inchi-kaai
Byscluaikfefah-lzurgkrnsa-n
23 oare nammen foar dizze substansje
N-benzoyl-5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (aci); 10: PN: WO03084478 Side: 57 opeaske RNA; 12: PN: US20030170636 Side: 17 opeaske r na; 13: pn: US20030212017 Side: 19 easke r na; 14: PN: US20030
211606 Side: 19 easke r na; 15: PN: US20040005569 pagina: 22 bewearden R Na; 16: PN: US20040006030 Side: 22 opeaske r na; 16: Pn: US20040014048 Side: 20 bewearde R Na; 17: pn: US20030171313 Pagina: 9 opeaske r na; 17: PN: US20040005565 2-22 opeaske RNA; 17: PN: US20040005570 Side: 20 easke r na; 17: PN: US20040014047 Side: 20 easke r na; 17: pn: US20040 014050 Side: 20 opeaske r na; 18: pn: US20030198965 Side: 19 easke r na; 18: pn: US20040014699 Pagina: 20 Claimte R Na; 19: PN: US20040006029 pagina: 23, 23% opeaske r na; 19: PN: WO03106645 Page: 71 easke r na; 59: PN: US20030166592 Side: 15 opeaske RNA; 6: PN: Wo2005006958 Side: 62 easke r na; 83: PN: US20040171566 Side: 18 opeaske r na; 8: pn: Wo2005007825
Side: 62 easke r na; 90: PN: US20040005707 Side: 20 easke r na; N4-benzoyl-2'-o-methoxyethyl-5'-o-dimethoxytrityl-5-
methylcytidine
| Eigenskippen beskikber |
| Thermal |
Thermal
| Besit | Wearde | Betingst | Boarne |
| Melting Point | 107-110 ° C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Aciden, (2018), 37 (4), 232-247, Caplus
Spectra te krijen
1h nmr
13C NMR
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 291 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 644 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3690 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 15600 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 23700 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 24800 | pH 6; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 23300 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 14100 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3010 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 558 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 569 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1260 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7210 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 30400 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 46300 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 48500 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 45500 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 27500 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 5890 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1090 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | 4.16 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 4,50 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 5.26 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 5,88 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 6.07 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 6.09 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 6.06 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 5,84 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 5.17 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 4.44 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.011 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,0 x 10-3 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 8,7 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2.1 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 1,4 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2.3 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 X 10-3 G / L | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-3 G / L | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g / l | Unbuffered water Ph 6.97; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1,8 x 10-7 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6,9 x 10-6 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.2 X 10-6 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,9 x 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.9 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.9 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.2 x 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 8.0 x 10-6 mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.9 x 10-7 mol / l | Unbuffered water Ph 6.97; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 721.80 | ||
| pka | 8,60 ± 0,40 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3,87 ± 0.20 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1,26 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 572.5 ± 7,0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 15 | (1) ACD | |
| Besit | Wearde | Betingst | Boarne |
| H akseptearders | 12 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / akseptearje SUM | 14 | (1) ACD | |
| Logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 721.80 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 137 A2 | (1) ACD | |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR
| Koade | Gefaarferklearring | Boarne |
| H335 | Kin respiratoire irritaasje feroarsaakje | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
| H319 | Feroarsaket serieuze eachirritaasje | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
| H315 | Feroarsaket hûdirritaasje | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
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