C2H23n5O6 Adénosin, n-bitzoyl-2'-O- (2-Methoxyletly) - (9ci, Aci)
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 429.43 | - |
| Kapadetan (diprediksi) | 1,53 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
| Pair (diprediksi) | 13.15 ± 0,70 | TEMP anu paling asam: 25 ° C |
Kanonical @ = C (NC1 = Nc = Nc2 = C1n = C1N = CN2c3oc (Co) C (CC4 = CC4
Isomicy
Atchi
Inchi = 1s / C2H23N5O6O6 / C1-29-8-8-30-16 (27) 137 (9-16) 21-14 0-11,13,15-16,20,26-27h, 7-9h2,1h3, (H, 21,22,22,22) / M1--
Konci inci
Rufjmcsvngzzz-khtyjDqrsa-n
2 ngaran séjén pikeun zat ieu
N-bilzoyl-2'-O- (2-Methoxylylil) Adenosine (ACI); N6-benzoyl-2'-O- (2-Metroxyletl) Adenosine
Spéktra sayogi
1h nmr
13c nmr
| Sipat sayogi |
| Biologis |
| Kimia |
| Perténaran |
| Lipinski |
| Struktur patali |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 3.71 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 14.6 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 20.9 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 21.8 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 21.9 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 21.8 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 21.4 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 17.6 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 6,52 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.08 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Kimia
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 53.2 | pH 1; Temp: 25 ° C | (1) ACD |
| Kub | 210 | pH 2; Temp: 25 ° C | (1) ACD |
| Kub | 299 | pH 3; Temp: 25 ° C | (1) ACD |
| Kub | 312 | pH 4; Temp: 25 ° C | (1) ACD |
| Kub | 314 | pH 5; Temp: 25 ° C | (1) ACD |
| Kub | 313 | pH 6; Temp: 25 ° C | (1) ACD |
| Kub | 306 | pH 7; Temp: 25 ° C | (1) ACD |
| Kub | 253 | pH 8; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 93.5 | pH 9; Temp: 25 ° C | (1) ACD |
| Kub | 15,5 | pH 10; Temp: 25 ° C | (1) ACD |
| log As | 1.30 | pH 1; Temp: 25 ° C | (1) ACD |
| log As | 1.90 | pH 2; Temp: 25 ° C | (1) ACD |
| log As | 2.05 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 2.07 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 2.07 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 2.07 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 2.06 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 1.98 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 1.54 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 0,76 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 0,030 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.17 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,0429 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,030 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,029 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,029 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,029 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,029 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,036 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,094 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.60 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,029 g / l | Cai pH pH 6,38; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 7.0 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.9 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,00 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 7.0 x 10-5 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,7 x 10-5 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,7 x 10-5 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,7 x 10-5 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 6,8 x 10-5 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 8.3 x 10-5 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 2.2 x 10-4 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1.4 x 10-3 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,7 x 10-5 mol / l | Cai pH pH 6,38; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 429.43 | ||
| Pka | 13.15 ± 0,70 | TEMP anu paling asam: 25 ° C | (1) ACD |
| Pka | 8.80 ± 0,10 | Paling dasar temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Perténaran
| Harta | Nilai | Kaayaan | Sumber |
| Perténaran | 1,53 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
| Masar | 280.3 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Lipinski
| Harta | Nilai | Kaayaan | Sumber |
| Beungkeut bébas rotét | 9 | (1) ACD | |
| H panarima | 11 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H donor / panarima | 14 | (1) ACD | |
| logp | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 429.43 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Daérah permukaan polar | 141 A2 | (1) ACD | |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
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