C11h15n5o5 guanosine, 2 '-O-methyl- (7ci, 8CI, 9CI, ACI)
CAS Registry Number
2140-71-8
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 297.27 | - |
| Melting Point (eksperiminteel) | 233-235 ° C | Solvent: methanol |
| Tichtheid (foarsizze) | 1.98 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 9,64 ± 0.20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
O = c1n = c (n) nc2 = c1n = cn2c3oc (co) c (o) c3oc
Isomeryske glimkes
O (c) [c @ h] 1 [c @ h] (n2c3 = c (n = c2) c (= o) n = c (n) n3) o [c @ h] (CO) [C @ h] 1o
Inchi
Inchi = 1s / c11h15n5o5 / c1-20-7-6 (18) 4 (2-17) 21-10 (7) 16-13-5 (12) 14-11 (12) 15 / H3-4,6-7,10,17H3, 2,171, 2,171, (h3,12,,15,19) / T4-, 6-, 7-, 10- / M1 / S1
Inchi-kaai
Ovyngsfvyrprcg-kqynxxcusa-n
1 oare namme foar dizze substansje
2 '-O-MethylGuanosine (ACI)
Eigenskippen beskikber
Gemysk
Thermal
| Besit | Wearde betingst | Boarne |
| pka | 9.5 | (1) CAS |
(1) Bhamra, inder; Nucleic Acids Undersyk,
| Besit | Wearde | Betingst | Boarne |
| Melting Point | 233-235 ° C | Solvent: methanol | (1) CAS |
(1) Kore, Anilkumar R .; Nucleosides, nukleotiden en nukleïske soeren,
Spectra te krijen
1 h nmr
13 C NMR
Mis
Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
| 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 |
| Besit | Wearde | Betingst | Boarne |
| 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)
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.19 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 3.42 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 4.23 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 4.33 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 4.34 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 4.33 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 4.24 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3.48 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.28 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | -2.76 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | -1.92 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | -1.46 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | -1.37 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | -1.36 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | -1.36 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | -1.36 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | -1.37 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | -1.45 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | -1.89 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | -1.359 ± 0.544 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 1.1 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 27 G / L | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.9 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 1.1 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 g / l | Unbuffered water Ph 6.17; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 3.6 x 10-3 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,091 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.013 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.6 x 10-3 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,7 x 10-3 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,7 x 10-3 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.6 x 10-3 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,7 x 10-3 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,7 x 10-3 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4,5 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 | 3.6 x 10-3 Mol / L | Unbuffered water Ph 6.17; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 297.27 | ||
| pka | 9,64 ± 0.20 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 2.42 ± 0.10 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1.98 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 149,8 ± 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)
| Besit | Wearde | Betingst boarne |
| Frij rotatbere bonnen | 5 | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| H akseptearders | 10 | (1) ACD | |
| H Donors | 5 | (1) ACD | |
| H Donor / akseptearje SUM | 15 | (1) ACD | |
| Logp | -1.359 ± 0.544 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 297.27 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 144 A2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1 h nmr
13 C NMR
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