C34H39N3O8 Cytiidine, 5'-O- [BIS (4-Methoxyphenil) Phenylmmethlethl) -2'-O (25 -5 (9ci, aci)
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 617.69 | - |
Titik ngagolak (diprediksi) | 762.6 ± 70.0 ° C | Pencét: 760 Torr |
Kapadetan (diprediksi) | 1.27 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
Pair (diprediksi) | 13.31 ± 0,70 | TEMP anu paling asam: 25 ° C |
Kanonical imones o = c1n = c (n) c (= cn1c2oc (co (c = 3c = c5) c. Ck = c
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Atchi
Inci = 1s / C34H39N3O8 / C1-22-20-37 (33 (39) 36-31 (22) 32-18-18) 23-32.7-8-12) 23-32.7-808) 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-,32-/m1/s1
Konci inci
Lyktvjjxzqtztnpkk-ptamlimua-n
24 ngaran séjén pikeun zat ieu
5'-o- [bis (4-metroxyphenylesil). -2'-o (2-Met Metylcyrylil (aci); aci); 11: PN: US20030170606060: 17: 17 ngaku RNA; 12: PN: US2003003002161604 Halaman: 18 ngaku RA; 12: PN: US2003002030303017: 19 ngaku RA; 14: PN: US200496569 PA: 21 ngaku RA; 15: PN: US200995555554 Halaman: 17- 22 ngaku RNA; 15: PN: US2004000400055555550: 19 ngaku RA; 15: PN: U S2004000603030: 22 ngaku RA; 15: PN: US200400400484 248: 19 Sebutkeun R NA; 16: PN: US2003001003013131313: 9 ngaku Rna; 16: PN: US20030030301999654 Halaman: 19 Sebutkeun R NA; 16: Pn: US20040040049 Patarosan: Halaman: 19 ngaku RA; 16: PN: US20040040049 halaman:
19 ngaku RNA; 17: PN: US2004004000014 211 Halaman: 21 ngaku RA; 17: PN: US200400400699 Halaman: 19 ngaku R TA; 17: PN: w
O03106645 Halaman: 69 ngaku RA; 18: PN: US20040006000006029: 22 ngaku RA; 2'-O-Metroxylettl-5'-O-DI-DI-5- Metilytidine; 58: PN: US200300300303334: 15 klaim r na; 5: Pn: Wo200500500694 halaman: 61 ngaku RA; 7: PN: Wo20050 27825 Halaman: 61 ngaku RA; 82: PN: US200200402015664 halaman: 18 ngaku R NA; 89: PN: US200999907 Halaman: 19 Sebutkeun R NA; 9: PN: Wo03087478: 56 ngaku RA
Sipat sayogi |
Biologis |
Kimia |
Perténaran |
Lipinski |
Struktur patali |
Theresalia |
Biologis
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 1,56 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.99 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 6.19 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 38.0 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 116 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 146 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 150 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 151 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 151 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 151 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Kimia
Harta | Nilai | Kaayaan | Sumber |
Kub | 13.0 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 16.6 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 51.8 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 318 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 966 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 1220 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 1260 | pH 7; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kub | 1260 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 1260 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 1260 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 1.18 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 1.29 | pH 2; Temp: 25 ° C | (1) ACD |
log As | 1.78 | pH 3; Temp: 25 ° C | (1) ACD |
log As | 2.57 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 3.05 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 3.16 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 3.17 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 3.17 | pH 8; Temp: 25 ° C | (1) ACD |
log As | 3.17 | pH 9; Temp: 25 ° C | (1) ACD |
log As | 3.17 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 3.169 ± 0.598 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 5.2 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 0.51 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,40 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0.13 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,020 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 6,8 x 10-3 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.4 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.2 x 10-3 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.2 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.2 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.3 x 10-3 g / l | Cai pH pH 7,05; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 8.4 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 8.2 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 6,4 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 2.1 x 10-4 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.3 x 10-5 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.1 x 10-5 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kahirupan molar | 8.7 x 10-6 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 8.5 x 10-6 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 8.4 x 10-6 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 8.4 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 8.4 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 8.5 x 10-6 mol / l | Cai pH pH 7,05; Temp: 25 ° C | (1) ACD |
Beurat molekular | 617.69 | ||
Pka | 13.31 ± 0,70 | TEMP anu paling asam: 25 ° C | (1) ACD |
Pka | 4.58 ± 0,10 | Paling dasar temp: 25 ° C | (1) ACD |
Tekenan uap | 1,89 x 10-24 toror | Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Perténaran
Harta | Nilai | Kaayaan | Sumber |
Perténaran | 1.27 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
Masar | 483.8 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Lipinski
Harta | Nilai | Kaayaan | Sumber |
Beungkeut bébas rotét | 14 | (1) ACD | |
H panarima | 11 | (1) ACD | |
H donor | 3 | (1) ACD | |
H donor / panarima | 14 | (1) ACD | |
logp | 3.169 ± 0.598 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 617.69 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Daérah permukaan polar | 134 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Theresalia
Harta | Nilai | Kaayaan | Sumber |
Titik anu ngagolak | 762.6 ± 70.0 ° C | Pencét: 760 Torr | (1) ACD |
Enthalpy tina vaporisasi | 116.53 ± 3.0 kj / mol | Pencét: 760 Torr | (1) ACD |
Titik kaingetan | 415.0 ± 35.7 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr