C44H53FN7O8 Guanosine, 5 ′ -O- [Bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -Deoxý-2 ′-Fluoro-N- (2-metýl-1-oxóprópýl)-, 3 ′-[2-cýanóetýl N, N-BIS (1-metýl etýl) fosforidite] (aci)
CAS skrásetningarnúmer
144089-97-4
Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
Mólmassa | 857.91 | - |
PKA (spáð) | 9,16 ± 0,20 | 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 (= O) n = C (NC (= O) C (C) C) NC65) N (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) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = CC = C (O) C. = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Tommur
Tommur = 1s/c44h53fn7o8p/c1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (60-61 (58-24-12-23-46) 52 (3) 6) 35 (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32/H9-11,13-22,26-29,35-36,38,42 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Inchi lykill
Kjfumxzzvymqeu-aocjbpqjSa-n
1 annað nafn fyrir þetta efni
Guanosine, 5 ′ -O-[bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -Deoxý-2 ′ -Fluoro-N-(2-metýl-1-oxóprópýl)-, 3 ′-[2-cyanoethyl bis (1-metýl etýl) fosfóramídít] (9ci)
Eignir í boði
Líffræðileg
Efni
Lipinski
Uppbygging tengd
Eign | Gildi | Ástand | Uppspretta |
Bioconcentration Factor | 298 | pH 1; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 6350 | pH 2; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 57800 | Ph 3; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1,76 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,21 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,26 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,24 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,03 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1,04 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 19300 | 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 312 pH 1; Temp: 25 ° C (1) ACD |
KOC 6630 PH 2; Temp: 25 ° C (1) ACD |
KOC 60400 pH 3; Temp: 25 ° C (1) ACD |
KOC 1,84 x 105 pH 4; Temp: 25 ° C (1) ACD |
KOC 2,31 x 105 pH 5; Temp: 25 ° C (1) ACD |
KOC 2,37 x 105 pH 6; Temp: 25 ° C (1) ACD |
KOC 2,35 x 105 pH 7; Temp: 25 ° C (1) ACD |
KOC 2,12 x 105 pH 8; Temp: 25 ° C (1) ACD |
KOC 1,08 x 105 pH 9; Temp: 25 ° C (1) ACD |
KOC 20200 pH 10; Temp: 25 ° C (1) ACD |
logd 4.47 pH 1; Temp: 25 ° C (1) ACD |
LOGD 5.80 pH 2; Temp: 25 ° C (1) ACD |
Eign | Gildi | Ástand | Uppspretta |
logd | 6,76 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 7.24 | pH 4; Temp: 25 ° C. | (1) ACD |
logd | 7.34 | pH 5; Temp: 25 ° C. | (1) ACD |
logd | 7.35 | pH 6; Temp: 25 ° C. | (1) ACD |
logd | 7.35 | pH 7; Temp: 25 ° C. | (1) ACD |
logd | 7.30 | pH 8; Temp: 25 ° C. | (1) ACD |
logd | 7.01 | pH 9; Temp: 25 ° C. | (1) ACD |
logd | 6.28 | pH 10; Temp: 25 ° C. | (1) ACD |
logp | 7.351 ± 0,713 | Temp: 25 ° C. | (1) ACD |
Massa eðlislægni | 3,0 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
Massa leysni | 0,022 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
Massa leysni | 1,0 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
Massa leysni | 1,2 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,9 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,0 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,0 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,3 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
Massa leysni | 6,5 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,0 x 10-5 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
Molar innri leysni | 3,5 x 10-8 mól/l | Temp: 25 ° C. | (1) ACD |
Molar leysni | 2,6 x 10-5 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
Molar leysni | 1,2 x 10-6 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
Molar leysni | 1,4 x 10-7 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Molar leysni | 4,5 x 10-8 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
Molar leysni | 3,6 x 10-8 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
Molar leysni | 3,5 x 10-8 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
Molar leysni | 3,5 x 10-8 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
Molar leysni | 3,9 x 10-8 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
Molar leysni | 7,6 x 10-8 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
Molar leysni | 4,1 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
Eign | Gildi | Ástand | Uppspretta |
Molar leysni | 3,5 x 10-8 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
Mólmassa | 857.91 | ||
PKA | 9,16 ± 0,20 | 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 | SKILYRÐI |
Polar yfirborð | 184 A2 | (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 | 15 | (1) ACD | |
H styrktaraðilar | 2 | (1) ACD | |
H gjafa/samþykki fjárhæð | 17 | (1) ACD | |
logp | 7.351 ± 0,713 | Temp: 25 ° C. | (1) ACD |
Mólmassa | 857.91 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)