C11H15N5O4 adenosine, 2 '-o-methyl- (7ci, 8ci, 9ci, ACI)
CAS -registernummer
2140-79-6
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 281.27 | - |
| Smeltpunt (experimenteel) | 204-206 ° C | - |
| Kookpunt (voorspeld) | 623,8 ± 65,0 ° C | Press: 760 Torr |
| Dichtheid (voorspeld) | 1,84 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 13,13 ± 0,70 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
Occ1oc (n2c = nc = 3c (= nc = nc32) n) c (oc) c1o
Isomere glimlach
O (C) [C@H] 1 [C@H] (N2C = 3C (N = C2) = C (N) N = CN3) O [C@H] (CO) [C@H] 1O
Inchi
Inchi = 1S/C11H15N5O4/C1-19-8-7 (18) 5 (2-17) 20-11 (8) 16-4-15-6-9 (12) 13-3-14-10 (6) 16/H3-5,7-8,11,17-18h, 2H2,1h3, (H2,12,13,13,14)/T5-, 7-, 7-, 7-, 7-, 7- , 8-, 11-/M1/S1
Inchi sleutel
Fpugcisolxnppc-ioSlpcccccsa-n
2 andere namen voor deze stof
2 ′ -O-Methyladenosine (ACI); Cordysinin B
Eigenschappen beschikbaar
Thermisch
| Eigendom | Waarde | Conditiebron |
| Smeltpunt | 204-206 ° C | (1) CAS |
(1) Martinez-Montero, Saul; European Journal of Organic Chemistry, (2009) (19), 3265-3271, S3265/1-S3265/23, Caplus
Spectra beschikbaar
1 H NMR
13 c nmr
IR
Massa
Eigenschappen beschikbaar
Biologisch
Chemisch
Dikte
Lipinski
Structuur gerelateerd
Thermisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.78 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.97 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.99 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.99 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.99 | pH 9; Temp: 25 ° C | (1) ACD |
| Bron van de eigenschapswaarde Bron |
| Bioconcentratiefactor 1.99 pH 10; Temp: 25 ° C (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| 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 |
| Massale intrinsieke oplosbaarheid | 3.7 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 886 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 309 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 45 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 7.9 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.9 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Massale oplosbaarheid | 3.7 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 g/l | Ongebufferde water pH 8,07; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 0,013 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.15 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.10 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,16 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,028 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,014 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,013 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,013 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,013 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,013 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,013 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,013 mol/l | Ongebufferde water pH 8,07; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 281.27 | ||
| pka | 13,13 ± 0,70 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 3,82 ± 0,10 | Meest basistemperatuur: 25 ° C | (1) ACD |
| Dampdruk | 2.02 x 10-16 TORR | Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Dikte | 1,84 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 152,5 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Vrij roteerbare bindingen | 5 | (1) ACD |
| H ACCEPTORS | 9 | (1) ACD |
| H Donoren | 4 | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| H Donor/Acceptor -som | 13 | (1) ACD | |
| logp | 0,697 ± 0,596 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 281.27 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 129 A2 | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Kookpunt | 623,8 ± 65,0 ° C | Press: 760 Torr | (1) ACD |
| Enthalpie van verdamping | 97,11 ± 3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flitspunt | 331,0 ± 34,3 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1 H NMR
13 c nmr
| Code | Gevarenverklaring | Bron |
| H303 | Kan schadelijk zijn als ze worden ingeslikt | Curated Expert |
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