C11H16N6O4 adenosien, 2-amino-2 ′ -o-metiel- (9ci, ACI)
CAS -registernommer
80791-87-3
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 296.28 | - |
| Smeltpunt (eksperimenteel) | 121-122 ° C | Oplosmiddel: metanol |
| Kookpunt (voorspel) | 733,2 ± 70,0 ° C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,98 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 13,12 ± 0,70 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte
Occ1oc (n2c = nc = 3c (= nc (= nc32) n) n) c (oc) c1o
Isomeriese glimlagte
O (c) [c@h] 1 [c@h] (n2c = 3c (n = c2) = c (n) n = c (n) n3) o [c@h] (co) [c@h] 1o
Duim
Inchi = 1S/C11H16N6O4/C1-20-7-6 (19) 4 (2-18) 21-10 (7) 17-3-14-5-8 (12) 15-11 (13) 16-9 (5) 17/H3-4,6-7,10,18-19H, 2H2,1H3, (H4,12,13,15,15,16) /t4-, 6-, 7-, 10-/m1/s1
Inchi -sleutel
JLWUWXCKSOIFPS-KQYNXXCUSA-N
2 ander name vir hierdie stof
2-amino-2 ′-O-methyladenosine (ACI); 2 ′ -O-Methyl-2,6-diaminopurien ribosied
Eiendom beskikbaar
Termies
| Eiendom | Waarde | Toestand | Bron |
| Smeltpunt | 121-122 ° C | Oplosmiddel: metanol | (1) Cas |
(1) Kore, Anilkumar R.; Nukleosiede, nukleotiede en nukleïensure, (2006), 25 (3), 307-314, caplus
Spektra beskikbaar
UV en sigbaar
Eiendom beskikbaar
Biologies
Chemies
Digtheid
Lipinski
Struktuurverwant
Termies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 1.0 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom Waarde -toestand bron |
| KOC 1.0 pH 1; Temp: 25 ° C (1) ACD |
| KOC 1.0 pH 2; Temp: 25 ° C (1) ACD |
| KOC 1.0 pH 3; Temp: 25 ° C (1) ACD |
| KOC 1.21 pH 4; Temp: 25 ° C (1) ACD |
| KOC 6,90 pH 5; Temp: 25 ° C (1) ACD |
| KOC 13.5 pH 6; Temp: 25 ° C (1) ACD |
| KOC 14.9 pH 7; Temp: 25 ° C (1) ACD |
| KOC 15.1 pH 8; Temp: 25 ° C (1) ACD |
| KOC 15.1 pH 9; Temp: 25 ° C (1) ACD |
| KOC 15.1 pH 10; Temp: 25 ° C (1) ACD |
| LOGD -2.85 pH 1; Temp: 25 ° C (1) ACD |
| LOGD -2.76 pH 2; Temp: 25 ° C (1) ACD |
| LOGD -2.31 pH 3; Temp: 25 ° C (1) ACD |
| LOGD -1.46 pH 4; Temp: 25 ° C (1) ACD |
| LOGD -0.70 PH 5; Temp: 25 ° C (1) ACD |
| LOGD -0.41 pH 6; Temp: 25 ° C (1) ACD |
| LOGD -0.37 pH 7; Temp: 25 ° C (1) ACD |
| LOGD -0.36 PH 8; Temp: 25 ° C (1) ACD |
| LOGD -0.36 PH 9; Temp: 25 ° C (1) ACD |
| LOGD -0.36 PH 10; Temp: 25 ° C (1) ACD |
| LOGP -0.363 ± 0.611 Temp: 25 ° C (1) ACD |
| Massa -intrinsieke oplosbaarheid 1,6 g/L temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 504 g/l pH 1; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 409 g/l pH 2; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 140 g/l pH 3; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 20 g/l pH 4; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 3,6 g/l pH 5; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 1,8 g/l pH 6; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 1,7 g/l pH 7; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 1,6 g/l pH 8; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 1,6 g/l pH 9; Temp: 25 ° C (1) ACD |
| Massa -oplosbaarheid 1,6 g/l pH 10; Temp: 25 ° C (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,98 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 149,3 ± 7,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 5 | (1) ACD | |
| H Acceptors | 10 | (1) ACD | |
| H -donateurs | 6 | (1) ACD | |
| H Skenker/Acceptor Sum | 16 | (1) ACD | |
| logp | -0.363 ± 0.611 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 296.28 |
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