C41H43N3o9 Cytidine, N-Benzoyyl-5'-O- [BIS (4-Movhyphenyl) phenylmethyl] -2'-O- O- (2-methyethyl) -5-methyl- (9ci, aci) h335, h319, h319
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 721.80 | - |
Melting Point (fanandramana) | 107-110 ° C | - |
Fahalemena (nambara) | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 8.60 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C1n = C (NC (= O) C = 2C = CC = CC2) C (= COC (CC4) CC = C (OC) C = C (OC) C = C (OC) C = C6) C (O OC) C = C6) C
Mitsiky i Isomeric
C (OC [C @ @ H] 1o [C @ h] (OCCOC) [C @@ H] 1o C6 = CC = CC = C6
Inchi
Inchi = 1s / c41h43n3o9 / c1-27-25-44 (40 (47) 43-37 (27) 42-38 (46) 28-11-7-4-8-12-28) 39-36 (51-24-23-48-2) 35-26 (51-24-23-48-2) 35 (45) 34 (53-391 (29-13-41 (29-13-41 (29-13
-9-6-10-14-29,30-15-19-32 (49-3) 20-17-20) 31-17-21-33 (50-4)
Inchi Key
Byscluaikfefah-Lzurgkrnsa-N
23 Ny anarana hafa ho an'ity zavatra ity
N-benzoyyl-5'-O- [bis (4-metoxylhenchyl) phenylmethyl] -2'--o- (2-methoxyethyl) -5-methylcyTidine (Aci); 10: pn: wo03084478 Pejy: 57 dia nanambara rna; 12: pn: Us20030170636 Pejy: 17 dia nitaky r na; 13: pn: Us20030212017 pejy: 19 nitaky r na; 14: pn: Us20030
Pejy: 19 dia nanambara R Na; 15: pn: Us20040005569 Page: 22 nitaky r na; 16: pn: Us20040006030 Pejy: 22 dia nitaky r na; 16: pn: Us20040014048 Pejy: 20 nitaky r na; 17: pn: Us20030171313 pejy: 9 nitaky r na; 17: pn: Us20040005565 Pejy: 17- 22 dia nanambara rna; 17: pn: Us20040005570 pejy: 20 dia nitaky r na; 17: pn: Us20040014047 Pejy: 20 nitaky r na; 17: pn: US20040 014050 Page: 20 dia nitaky r na; 18: pn: Us20030198965 Pejy: 19 nitaky r na; 18: pn: Us20040014699 Pejy: 20 nitaky r na; 19: pn: Us20040006029 Page: 23 nitaky r na; 19: pn: Wo03106645 Pejy: 71 nitaky r na; 59: PN: US20030166592 dia nanambara ny RNN; 6: pn: wo2005006958 Pejy: 62 nitaky r na; 83: pn: Us20040171566 Pejy: 18 dia nitaky r na; 8: pn: wo2005007825
Pejy: 62 dia nitaky r na; 90: pn: Us20040005707 Pejy: 20 nitaky r na; N4-Benzoyl-2'-O-O-O-O-O-DimetHoxytrityl-5-
methylcytidine
Fananana misy |
mafana |
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Melting Point | 107-110 ° C | (1) Cas |
(1) Penjarla, Srishylam; Ny nucleosides, asidra nukleotides & asidra nokleary, (2018), 37 (4), 232-247, Caplus
Spectra misy
1H NMR
13c NMR
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 291 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 644 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3690 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 15600 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 23700 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 24800 | PH 6; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 23300 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 14100 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3010 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 558 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 569 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 1260 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 7210 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 30400 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 46300 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 48500 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 45500 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 27500 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 5890 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 1090 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 4.16 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 4.50 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 5.26 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 5.88 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 6.07 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 6.09 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 6.06 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 5.84 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 5.17 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 4.44 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.011 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.0 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 8.7 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.1 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Supubility Mass | 1.4 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.3 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.4 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.3 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.1 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.4 x 10-4 g / l | Rano tsy voaroy 6 6,97; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.9 x 10-6 Mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.2 x 10-6 Mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.9 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.9 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.2 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.5 x 10-6 Mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 8.0 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.9 x 10-7 mol / l | Rano tsy voaroy 6 6,97; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 721.80 | ||
pka | 8.60 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | 3.87 ± 0.20 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 572.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 15 | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
H Mpanaja | 12 | (1) ACD | |
H mpamatsy vola | 2 | (1) ACD | |
H Donor / Accas Sum | 14 | (1) ACD | |
Logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 721.80 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra misy polar | 137 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1H NMR
13c NMR
fehezan-dalàna | Fanambarana momba ny loza | Source |
H335 | Mety hiteraka hatezerana | Ny fifanakalozan-kevitra simika simika eropeana sy ny famoretana an-tsary momba ny simika sy ny mari-pamantarana - fampandrenesana mahazatra, ny fampandrenesana mahazatra, ny masoivoho simika (echa) |
H319 | Miteraka fahasosorana be loatra | Ny fifanakalozan-kevitra simika simika eropeana sy ny famoretana an-tsary momba ny simika sy ny mari-pamantarana - fampandrenesana mahazatra, ny fampandrenesana mahazatra, ny masoivoho simika (echa) |
H315 | Mahatonga ny fanelingelenana hoditra | Ny fifanakalozan-kevitra simika simika eropeana sy ny famoretana an-tsary momba ny simika sy ny mari-pamantarana - fampandrenesana mahazatra, ny fampandrenesana mahazatra, ny masoivoho simika (echa) |