C43H55N4O10P uridine, 5 ′ -O- [bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -O- (2-metox yethyl)-5-metýl-, 3 ′-[2-cyanoethyl n, n-bis (1-metýletýl) phosphor amidite] (ACI)
CAS skrásetningarnúmer
163878-63-5
H302
Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
Mólmassa | 818.89 | - |
PKA (spáð) | 9,55 ± 0,10 | Sýrtasta temp: 25 ° C |
Canonical bros
N#CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) 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] (OCCOC) [C @@ H] (O1) N2C (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
Tommur
Inchi = 1s/C43H55N4O10P/C1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 53-26-25-50-6) 46-27-31 (5) 40 (48) 45-42 (46) 49) 2 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34/H9-11,13-22,27,29-30,37-39,41h, 12,24-26,28h2, 1-8H3, (H, 45,48,49)/T37-, 38-, 39-, 41-, 58?/M1/S1
Inchi lykill
Yfrrkzdudxhjnc-kzqaakllsa-n
17 önnur nöfn fyrir þetta efni
Uridine, 5 ′ -O-[bis (4-metoxýfenýl) fenýlmetýl] -2 ′-O-(2-metoxýetýl)-5-metýl-, 3 ′-[2-cyanoethyl bis (1-metýl) fosfór
amidite] (9ci); 10: PN: US20030212017 Page: 18 krafist RNA; 11: PN: US20030211606 Page: 18 krafist RNA; 13: PN: US20040
005569 Bls: 21 krafðist RNA; 13: PN: US20040006030 Page: 22 krafist RNA; 13: PN: US20040014048 Page: 19 krafist RNA; 13: PN: US20040014049 Page: 19 krafist RNA; 14: PN: US20030198965 Page: 19 krafist RNA; 14: PN: US20040005565 Page: 17-22 Kröfur RNA; 14: PN: US20040005570 Page: 19 krafist RNA; 14: PN: US20040014047 Page: 19 krafist RNA; 14: PN: US20040
014699 Bls: 19 krafist RNA; 15: PN: US20040014050 Page: 19 krafist RNA; 15: PN: US20040014051 Bls: 21 krafist RNA; 15:
PN: WO03106645 Bls: 69 krafðist RNA; 16: PN: US20040006029 Bls: 22 krafist RNA; 87: PN: US20040005707 Page: 19 krafist RNA
Litróf í boði
1 klst. NMR
13 C nmr
Hetero nmr
Eignir í boði
Líffræðileg
Efni
Lipinski
Uppbygging tengd
Eign | Gildi | Ástand | Uppspretta |
Bioconcentration Factor | 348 | pH 1; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2810 | pH 2; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 21100 | Ph 3; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 63100 | pH 4; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 78800 | pH 5; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 80800 | pH 6; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 80800 | pH 7; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 78800 | pH 8; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 63400 | pH 9; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 21800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Eign | Gildi | Ástand | Uppspretta |
KOC | 487 | pH 1; Temp: 25 ° C. | (1) ACD |
KOC | 3940 | pH 2; Temp: 25 ° C. | (1) ACD |
KOC | 29600 | Ph 3; Temp: 25 ° C. | (1) ACD |
KOC | 88400 | pH 4; Temp: 25 ° C. | (1) ACD |
Eign | Gildi | Ástand | Uppspretta |
KOC | 1,10 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
KOC | 1,13 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
KOC | 1,13 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
KOC | 1,10 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
KOC | 88800 | pH 9; Temp: 25 ° C. | (1) ACD |
KOC | 30600 | pH 10; Temp: 25 ° C. | (1) ACD |
logd | 4.39 | pH 1; Temp: 25 ° C. | (1) ACD |
logd | 5.30 | pH 2; Temp: 25 ° C. | (1) ACD |
logd | 6.18 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 6.65 | pH 4; Temp: 25 ° C. | (1) ACD |
logd | 6,75 | pH 5; Temp: 25 ° C. | (1) ACD |
logd | 6,76 | pH 6; Temp: 25 ° C. | (1) ACD |
logd | 6,76 | pH 7; Temp: 25 ° C. | (1) ACD |
logd | 6,75 | pH 8; Temp: 25 ° C. | (1) ACD |
logd | 6.65 | pH 9; Temp: 25 ° C. | (1) ACD |
logd | 6.19 | pH 10; Temp: 25 ° C. | (1) ACD |
logp | 6,761 ± 0,669 | Temp: 25 ° C. | (1) ACD |
Massa eðlislægni | 2,0 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
Massa leysni | 0,046 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
Massa leysni | 5,7 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
Massa leysni | 7,6 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Massa leysni | 2,5 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
Massa leysni | 2,0 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
Massa leysni | 2,0 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
Massa leysni | 2,0 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
Massa leysni | 2,0 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
Massa leysni | 2,5 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
Massa leysni | 7,4 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
Massa leysni | 2,0 x 10-4 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
Molar innri leysni | 2,4 x 10-7 mól/l | Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,6 x 10-5 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
Molar leysni | 7,0 x 10-6 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
Eign | Gildi | Ástand | Uppspretta |
Molar leysni | 9,3 x 10-7 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Molar leysni | 3,1 x 10-7 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
Molar leysni | 2,5 x 10-7 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
Molar leysni | 2,4 x 10-7 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
Molar leysni | 2,4 x 10-7 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
Molar leysni | 2,5 x 10-7 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
Molar leysni | 3,1 x 10-7 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
Molar leysni | 9,0 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
Molar leysni | 2,4 x 10-7 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
Mólmassa | 818.89 | ||
PKA | 9,55 ± 0,10 | 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 | 21 | (1) ACD | |
H samþykki | 14 | (1) ACD | |
H styrktaraðilar | 1 | (1) ACD | |
H gjafa/samþykki fjárhæð | 15 | (1) ACD | |
logp | 6,761 ± 0,669 | Temp: 25 ° C. | (1) ACD |
Mólmassa | 818.89 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Eign | Gildi | SKILYRÐI |
Polar yfirborð | 164 A2 | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1 klst. NMR
13 C nmr
Heimild kóðahættu | |
H302 skaðlegt ef gleypt | Flokkun og merking evrópskra efna (ECHA) Birgðir - Tilkynnt flokkun og merkingar - Algengustu tilkynningarnar, Evrópsk efnastofnun (ECHA) Flokkun og merkingarbirgðir - Tilkynnt flokkun og merkingar - Alvarlegustu tilkynningarnar |