![C47H51FN7O7P adenósín, N-benzóýl-5 ′ -O- [Bis (4-metoxýfenýl) fenýlmetýl] -2 ′-deoxý-2 ′ -flúoró-, 3 ′-[2-cyanoethyl n, n-bis (1-metýl) fosfór amidite] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H51FN7O7P adenósín, N-benzóýl-5 ′ -O- [bis (4-metoxýfenýl) fenýlmetýl] -2 ′-deoxý-2 ′ -flúoró-, 3 ′-[2-cyanoethyl n, n-bis (1-metýl) fosfór amidite] (Aci) sem var lögun á myndun (1-metýl) fosfór] (Aci) sem var lögð af Aci) (Aci).](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P adenósín, N-benzóýl-5 ′ -O- [Bis (4-metoxýfenýl) fenýlmetýl] -2 ′-deoxý-2 ′ -flúoró-, 3 ′-[2-cyanoethyl n, n-bis (1-metýl) fosfór amidite] (aci)
CAS skrásetningarnúmer
136834-22-5
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 875.92 | - |
| PKA (spáð) | 7,87 ± 0,43 | Sýrtasta temp: 25 ° C |
Canonical bros
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = 6C (= NC = NC65) NC (= O) C = 7C = CC = CC7) N (C (C) C) C) C) C) C) C) C) C) C) C = C) C =
Isomicer bros
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (F) [C @@ H] (O1) N2C = 3C (N = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Tommur
Inchi = 1s/C47H51FN7O7P/C1-31 (2) 55 (32 (3) 4) 63 (60-27-13-26-49) 62-42-39 (61-46 (40 (42) 48) 54-30-52-41-43 (50-29-51-44 (41) 54) 53-45 (56 ) 33-14-9-7-10-15-33) 28-59-47 (34-16-11-8-12-17-34,35-18-22-37 (57-5) 23-19-35) 36-20-24-38 (58-6) 25-21-36/H7-12,14-25,29-32,39-40,4 2,46 klst., 13,27-28h2,1-6h3, (H, 50,51,53,56)/T39-, 40-, 42-, 46-, 63?/M1/S1
Inchi lykill
VCCMVPDSLHFCBB-MSIRFHFKSA-N
1 annað nafn fyrir þetta efni
Adenósín,N-benzoyl -5 ′ -O-[bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -Deoxý-2 ′-flúoró-, 3 ′-[2-cyanoethyl bis (1-metýletýl) fosfór amidite] (9ci)
Eignir í boði
Líffræðileg
Efni
Lipinski
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 6590 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,76 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 3,43 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 99100 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
| Heimild fasteignaverðs |
| KOC 2590 pH 1; Temp: 25 ° C (1) ACD |
| KOC 69100 pH 2; Temp: 25 ° C (1) ACD |
| KOC 6,96 x 105 pH 3; Temp: 25 ° C (1) ACD |
| KOC 2.16 x 106 pH 4; Temp: 25 ° C (1) ACD |
| KOC 2,70 x 106 pH 5; Temp: 25 ° C (1) ACD |
| KOC 2,71 x 106 pH 6; Temp: 25 ° C (1) ACD |
| KOC 2,23 x 106 pH 7; Temp: 25 ° C (1) ACD |
| KOC 8,20 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1,35 x 105 pH 9; Temp: 25 ° C (1) ACD |
| KOC 39000 pH 10; Temp: 25 ° C (1) ACD |
| logd 6.29 pH 1; Temp: 25 ° C (1) ACD |
| Logd 7.71 pH 2; Temp: 25 ° C (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| logd | 8.71 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 9.20 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 9.30 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 9.30 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 9.22 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 8.79 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 8.00 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 7.46 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 9.317 ± 0,714 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 3,4 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-3 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,3 x 10-6 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,4 x 10-6 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,4 x 10-6 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,1 x 10-6 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,1 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 6,9 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,5 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,1 x 10-6 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 3,9 x 10-9 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,1 x 10-6 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,5 x 10-7 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,5 x 10-8 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,9 x 10-9 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,9 x 10-9 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,9 x 10-9 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,7 x 10-9 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,3 x 10-8 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,9 x 10-8 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,8 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 4,7 x 10-9 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 875.92 | ||
| PKA | 7,87 ± 0,43 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Grundvöllurinn: 25 ° C | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 18 | (1) ACD | |
| H samþykki | 14 | (1) ACD | |
| H styrktaraðilar | 1 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 15 | (1) ACD | |
| logp | 9.317 ± 0,714 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 875.92 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
| Eign | Gildi | SKILYRÐI |
| Polar yfirborð | 169 A2 | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
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