C50H60N5O10P CYTIDINE, N-BENZOYL-5 '-O- [BIS (4-MethoDethyl N, 2' - [METYOHETL N, N-BIS) (ACI)
Nomer Registri CAS
163759-94-2
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 922.01 | - |
Pka (diprediksi) | 8.59 ± 0.40 | Temp paling asam: 25 ° C |
Mesem kanonik
N # cccop (oc1c (oc (oc = c (c (= nc2 = o) nc = c5 = c5 = c5 = c5 = c5 (c) n (c) c
Mesem isomerat
C (OC [C @@ H] 1 [C @@ H] (n (c) N = C3 = CC = C3 = c3 = C4) (C4 = cc = C (oc) c = c4) (C5 = c5 = c5 = c = c5) c5 = c5 = cc = cc = c6
INCI
Kopi = 1s / c50h60n5o10p / C1-34 (2) 55 (3) 4) 66 (63-2-4-15-14-19-31-13-14-19-31-13-10-14-19-31-10.31-19-31-10.31-19-31-10191-19-319 (389-7) 25-21-39 ) 40-22-26-42 (60-8) 27-2-3) 64-48 (45-31-30-58-6) 56-3-17-37-1 35,43-45,48h, 15,29-31,33h2,1-8h3, (H, 5,,53,56,57) / t43-, 44-, 45-, 48-, 66? / M1 / S1
Kunci inci
Fligvmliidvdsn-gicdfousi-n
26 jeneng liya kanggo zat iki
Cytidine,N-Benzoyl-5 '-O- [bis (4-meteixyphenht) phenylmethyl] -2 '-O- (2-METEXYETHYL) - 5-methyl-, 3 '- [2-Cyanoethyl BIS (1-Methylethyl) (9CI); 12: PN: WOX3084478 Kaca: 57 ngaku DNA; 14: PN: US20030170636 kaca: ngaku DNA; 15: pn: u
S20030211606 Kaca: 19 ngaku DNA; 15: PN: US20030212017 Kaca: 19 ngaku DNA; 16: PN: US20040005569 Kaca: 22 Nuduhake DNA; 17: PN: US20040006030 Halaman: 23 DNA; 17: PN: US2004000014049 Kaca: 20 DNA; 18: PN: US2004000014047 Pag e: 20 nyatakake DNA; 18: PN: US20040014048 Kaca: 20 DNA; 18: PN: US20040014050 kaca: 20la ngaku DNA; 19: pn: u
S20030171313 Kaca ngaku DNA; 19: PN: US20030198965 Halaman: 20la ngaku DNA; 19: PN: US200400055565 Halaman: 17-22 ngaku DNA; 19: PN: US20040005570 kaca: 20la ngaku DNA; 19: PN: US200400151 Kaca: 22 Nuduhake DNA; 20: PN: US20040014699 Pag
E: 20 ngaku DNA; 21: PN: US20040006029 Kaca: 23 DNA; 21: PN: WOX3106645 Halaman: 72 ngaku DNA; 61: PN: US20030
166592 Halaman: 15 ngaku DNA; 7: PN: WO2005006958 Halaman: 62 ngaku DNA; 84: PN: US2004017156666666666666666666666 kaca: 18 ngaku DNA; 92:
PN: US20040005707 Halaman: 20 nuntut DNA; 9: PN: WO2005007825 kaca: 62 ngaku DNA;N4-benzoyl-2 '-O-Methoxyethyl-5-O- Dimethoxytrityl-5-methylcytidine-3 '-phosoporidite;N4-benzoyl-2 '-O-Methoxyethyl-5 '-O-dimethointTrityl-5-methylcytidine-3 '- Amidite
Spektrum kasedhiya
13 c nmr
Hetero nmr
Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 171 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1250 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 47600 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 6.44 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 7.79 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.63 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 30800 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
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 |
Properti | Regane | Kondisi | Sumber |
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 |
logd | 4.48 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 5.34 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 6.92 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 8.06 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 8.36 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 8.39 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 8.37 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 8.14 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.46 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.73 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 8.401 ± 0.723 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 1,4 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.1 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0.16 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.1 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.0 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1,5 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1,4 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1,5 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2,5 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.2 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 6,3 x 10-3 G / L | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1,5 x 10-4 g / l | Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 1,5 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.2 x 10-3 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 1.7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.4 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.2 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.6 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1,5 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.6 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.7 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.3 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6,8 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.6 x 10-7 mol / l | Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 922.01 | ||
PKA | 8.59 ± 0.40 | Temp paling asam: 25 ° C | (1) ACD |
PKA | 3.87 ± 0,20 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Obligasi kanthi bebas | 22 | (1) ACD | |
H Nampa | 15 | (1) ACD | |
H donor | 1 | (1) ACD | |
H Donor / Sumrah Panampa | 16 | (1) ACD | |
logp | 8.401 ± 0.723 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 922.01 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Sumber kahanan |
Area permukaan polar | 176 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1 h nmr
13 c nmr