![C50H60N5O10P Citidin, N-Benzoyl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 '-O- (2-metoksitil)-5-metil-, 3'-[2-Cyanoetil N, N-BIS (1-METHITETHIL)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P CITIDIN, N-BENZOYL-5 ′ -O- [BIS (4-metoksifenil) fenilmetil] -2 '-O- (2-metoksietil)-5-metil-, 3'-[2-Cyanoetil N, N-BIS (1-METHITEME) Slika](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Citidin, N-Benzoyl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 '-O- (2-metoksitil)-5-metil-, 3'-[2-Cyanoetil N, N-BIS (1-METHITETHIL)
Številka registra CAS
163759-94-2
| Ključne fizikalne lastnosti | Vrednost | Stanje |
| Molekularna teža | 922.01 | - |
| PKA (napovedano) | 8,59 ± 0,40 | Najbolj kisla temp: 25 ° C |
Kanonični nasmehi
N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C (C) C (C) C (C) C (C) C (C.
Izomerni nasmehi
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) N = C (NC (= O) C3 = CC = Cc = Cc = C3) C (C) = Cc) = C (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-10-14-14-14-19-38,39-24-41 )40-22-26-42(60-8)27-23-40)64-48(45(44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/h9-14,16-27,32,34- 35,43-45,48h, 15,29-31,33H2,1-8H3, (H, 52,53,56,57)/T43-, 44-, 45-, 48-, 66?/M1/S1
KLJUČ INCHI
Fligvmliidvdsn-gicdfoiusa-n
26 drugih imen za to snov
Citidin,N-Benzoyl -5 ′ -O-[bis (4-metoksifenil) fenilmetil] -2 '-O-(2-metoksietil)-5-metil-, 3 '-[2-cianoetil bis (1-metiletil) fosforamidit] (9ci); 12: PN: WO03084478 Stran: 57 Zahtevana DNK; 14: PN: US20030170636 Stran: 17 Zahtevana DNK; 15: pn: u
S20030211606 Stran: 19 Zahtevana DNK; 15: PN: US20030212017 Stran: 19 Zahtevana DNK; 16: PN: US20040005569 Stran: 22 Zahtevana DNK; 17: PN: US20040006030 Stran: 23 Zahtevana DNK; 17: PN: US20040014049 Stran: 20 Zahtevana DNK; 18: PN: US20040014047 PAG E: 20 Zahtevana DNK; 18: PN: US20040014048 Stran: 20 Zahtevana DNK; 18: PN: US20040014050 Stran: 20 Zahtevana DNK; 19: pn: u
S20030171313 Stran: 9 Zahtevana DNK; 19: PN: US20030198965 Stran: 20 Zahtevana DNK; 19: PN: US20040005565 Stran: 17–22 Zahtevana DNK; 19: PN: US20040005570 Stran: 20 Zahtevana DNK; 19: PN: US20040014051 Stran: 22 Zahtevana DNK; 20: PN: US20040014699 PAG
E: 20 trdi DNK; 21: PN: US20040006029 Stran: 23 Zahtevana DNK; 21: PN: WO03106645 Stran: 72 Zahtevana DNK; 61: PN: US20030
166592 Stran: 15 Zahtevani DNK; 7: PN: WO2005006958 Stran: 62 Zahtevana DNK; 84: PN: US20040171566 Stran: 18 Zahtevana DNK; 92:
PN: US20040005707 Stran: 20 Zahtevana DNK; 9: PN: WO2005007825 Stran: 62 Zahtevana DNK;N4-benzoyl-2 '-O-metoksietil-5-O-dimetoksitrijal-5-metilcitidin-3 '-fosforamidit;N4-benzoyl-2 '-O-metoksietil -5 ' -O-DimetoxyTrityl-5-metilcitidin-3 '-Amidite
Na voljo so spektri
13 C NMR
Hetero nmr
Na voljo so lastnosti
Biološko
Kemična
Lipinski
Povezana struktura
| Lastnina | Vrednost | Stanje | Vir |
| Faktor biokoncentracije | 171 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 1250 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 47600 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 6,44 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 1,00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 1,00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 1,00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 7,79 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 1,63 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 30800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Lastnina | Vrednost | Stanje | Vir |
| Koc | 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 773 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 29500 | pH 3; Temp: 25 ° C. | (1) ACD |
| Lastnina | Vrednost | Stanje | Vir |
| Koc | 3,99 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 8,02 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 8,70 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 4,83 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 1,01 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 19100 | pH 10; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.48 | pH 1; Temp: 25 ° C. | (1) ACD |
| dnevnik | 5.34 | pH 2; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.92 | pH 3; Temp: 25 ° C. | (1) ACD |
| dnevnik | 8.06 | pH 4; Temp: 25 ° C. | (1) ACD |
| dnevnik | 8.36 | pH 5; Temp: 25 ° C. | (1) ACD |
| dnevnik | 8.39 | pH 6; Temp: 25 ° C. | (1) ACD |
| dnevnik | 8.37 | pH 7; Temp: 25 ° C. | (1) ACD |
| dnevnik | 8.14 | pH 8; Temp: 25 ° C. | (1) ACD |
| dnevnik | 7.46 | pH 9; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.73 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 8.401 ± 0,723 | Temp: 25 ° C. | (1) ACD |
| Masna intrinzična topnost | 1,4 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Masna topnost | 1,1 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 0,16 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 4.1 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,0 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 1,5 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 1,4 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 1,5 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 2,5 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 1,2 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 6,3 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 1,5 x 10-4 g/l | Unbuffered Water pH 6,97; Temp: 25 ° C. | (1) ACD |
| Molarna intrinzična topnost | 1,5 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 1,2 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Lastnina | Vrednost | Stanje | Vir |
| Molarna topnost | 1,7 x 10-4 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 4,4 x 10-6 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 3,2 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 1,6 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 1,5 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 1,6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 2,7 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 1,3 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,8 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 1,6 x 10-7 mol/l | Unbuffered Water pH 6,97; Temp: 25 ° C. | (1) ACD |
| Molekularna teža | 922.01 | ||
| PKA | 8,59 ± 0,40 | Najbolj kisla temp: 25 ° C | (1) ACD |
| PKA | 3,87 ± 0,20 | Najosnovnejša temp: 25 ° C | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Lastnina | Vrednost | Stanje | Vir |
| Prosto vrtljive vezi | 22 | (1) ACD | |
| H sprejemniki | 15 | (1) ACD | |
| H donatorji | 1 | (1) ACD | |
| H vsota darovalca/sprejemnika | 16 | (1) ACD | |
| logp | 8.401 ± 0,723 | Temp: 25 ° C. | (1) ACD |
| Molekularna teža | 922.01 |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Lastnina | Vrednost | Vir stanja |
| Polarna površina | 176 A2 | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Na voljo so spektri
1 h NMR
13 C NMR
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