C15H21N5O6 Guanosine, 2'-o-methyl-n- (2-methyl-1-oxopropyl) - (9ci, aci)
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 367.36 | - |
| Tichtheid (foarsizze) | 1.68 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 9,16 ± 0.20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3oc
Isomeryske glimkes o (c) [c @ h] 1 [c @ h] (n2c3 = c (= c2) c (= o) n = c (nc (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c (c) n3) o [c @ h] (CO) [C @ h] 1o
Inchi
Inchi = 1s / c15h21n5o6 / c1-6 (2) 12 (23) 18 (23) 18-15-15) 16-5-20 (11) 14-10 (25) 7 (4-21) 26-14 / H57,9-10.14,21- 22h 4h2,1-3h3, (H2,17,18,19,23,24) / t7-, 9-, 10-, 14- / m1 / s1
Inchi-kaai
Rpulcyxeyodqog-akaijseegsa-n
2 oare nammen foar dizze substansje
2-O-Methyl-N- (2-methyl-1-oxopropyl) guanosine (aci);N2-isobutyryl-2'-O-metylguanosine
Spectra te krijen
1h nmr
13C NMR
Mis
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | 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 | 2.12 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 8.67 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 12.6 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 13.2 | pH 7; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 12.5 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.85 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.76 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | -1.26 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | -0.65 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | -0.49 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | -0.47 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | -0.46 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | -0.46 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | -0.47 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | -0.49 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | -0.69 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | -1.34 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 0.55 G / L | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,5 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,84 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.59 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.55 G / L | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.55 G / L | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.55 G / L | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.55 G / L | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.59 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,96 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.55 G / L | Unbuffered water pH 6.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1,5 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 9,6 x 10-3 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.3 x 10-3 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.6 x 10-3 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-3 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-3 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 1,5 x 10-3 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-3 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.6 x 10-3 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.6 x 10-3 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.012 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-3 mol / l | Unbuffered water pH 6.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 367.36 | ||
| pka | 9,16 ± 0.20 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 1.73 ± 0.10 | 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 | 1.68 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 217.6 ± 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 | 6 | (1) ACD | |
| H akseptearders | 11 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / akseptearje SUM | 15 | (1) ACD | |
| Logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 367.36 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 147 a2 | (1) ACD | |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
Spectra te krijen
13C NMR
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