C11h15n5o4 adenosine, 2 '-O-methyl- (7ci, 8CI, 9CI, ACI)
CAS Registry Number
2140-79-6
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 281.27 | - |
| Melting Point (eksperiminteel) | 204-206 ° C | - |
| Siedend punt (foarsizze) | 623.8 ± 65,.0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 1.84 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 13.13 ± 0,70 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
OCC1OC (N2C = NC = 3c (= NC = NC32) n) c (OC) C1O
Isomeryske glimkes
O (c) [c @ h] 1 [c @ h] (n2c = 3c (n = c2) = c (n) n = cn3) o [c @ h] [c @ h] 1o
Inchi
Inchi = 1s / c11h15n5o4 / c1-19-8-7 (18) 5 (2-17) 20-11 (8) 16-4-14-10 (6) 13-3-14-8,11,171 (h2,1H3, (h2,11,14) / t5-, 7-, 8-, 11- / m1 / s1
Inchi-kaai
FPUGCISOLXNPPC-iOSLPCCCS-N
2 oare nammen foar dizze substansje
2 '-O-MetyLadenosine (aci); CORDYSININ B
Eigenskippen beskikber
Thermal
| Besit | Wearde | Betingst boarne |
| Melting Point | 204-206 ° C | (1) CAS |
(1) Martinez-Montero, Saul; European Journal of Organic Chemistry, (2009) (19), 3265-3271, S3265 / 1-S3265 / 23, Caplus
Spectra te krijen
1 h nmr
13 C NMR
IR
Mis
Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
Thermal
| 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 | 1.78 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.97 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,99 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,99 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,99 | pH 9; Temp: 25 ° C | (1) ACD |
| Eigendomwearde Boarne |
| Bioconcentration Factor 1,99 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 | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 4.54 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 26.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 51.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 56.4 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 57.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 57.1 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 57.1 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 57.0 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | -1.70 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | -1.25 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | -0,40 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 0.36 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 0.65 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 0.69 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 0,70 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 0,70 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 0,70 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 0,70 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 0.697 ± 0.596 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 3,7 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 886 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 309 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 45 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 7,9 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.9 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,7 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,7 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 3,7 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,7 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,7 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,7 g / l | Unbuffered water pH 8.07; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 0.013 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.15 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.10 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,16 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,028 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.014 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.013 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.013 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.013 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.013 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.013 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.013 Mol / L | Unbuffered water pH 8.07; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 281.27 | ||
| pka | 13.13 ± 0,70 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3,82 ± 0.10 | Meast basic temp: 25 ° C | (1) ACD |
| Dampdruk | 2.02 x 10-16 torr | 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 | 1.84 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 152,5 ± 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)
| Besit | Wearde | Betingst boarne |
| Frij rotatbere bonnen | 5 | (1) ACD |
| H akseptearders | 9 | (1) ACD |
| H Donors | 4 | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| H Donor / akseptearje SUM | 13 | (1) ACD | |
| Logp | 0.697 ± 0.596 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 281.27 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 129 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 623.8 ± 65,.0 ° C | Parse: 760 Torr | (1) ACD |
| Enthalpy fan Vaporization | 97.11 ± 3.0 KJ / Mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 331.0 ± 34.3 ° C | (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
| Koade | Gefaarferklearring | Boarne |
| H303 | Kin skealik wêze as se swalke | Ekspert Curated |
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