C41H49FNIO8P CYTIDINE, N-ACETYL-5 '-O- [4-methoxyletyl) Phenylmethyl] -2' - [2-bis (1-bis (1-bis (1-bis (1-BIS (ACI)
Numero sa Registry sa Cas
159414-99-0
KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
Gibug-aton sa molekula | 789.83 | - |
PKA (gitagna) | 10.11 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
N # CCCOP (OC1C (F) C (OC1COC (C = CC = C (CC) C) N (C) C) C (C) C) C (C) C) C
Isomeric smile
C (OC [c @@ h] 1 [c @@ h] (O (c (c) (c) (c) c = c (cc) c = c. c (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1s / C41H49FN5O8P / C1-27 (2) 47 (33-25-35) 41 (30-12-9-8-10-10-30,31-14-18-33 (50-6) 19-15-31) 32-32,24-20,32-20,32-20,32-7-720, (H, 44,45,48,49) / T35-, 37-, 38-, 39-, 56? / M1 / S1
Yawe sa inchi
Cnfkjhkdsrxnfl-Utxremqhsa-n
1 Uban pang ngalan alang sa kini nga sangkap
Cytidine,N-acetyl-5 '-O- [BIS (4-methoxypylnyl) Phenylmethyl] -2 -DOOXY-2 '-Fluoro-, 3-cyanoethyl bis (9-cyanhoethyl) Phosphor
Magamit ang Spectra
Misa
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Lipinski
May kalabutan sa istruktura
Kabtangan | Bili | Kahimtang | Tinubdan |
Factor sa Bioconcentration | 8.60 | Ph 1; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 90.3 | Ph 2; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 3940 | Ph 3; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 39100 | Ph 4; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 64300 | Ph 5; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 68100 | Ph 6; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 68300 | Ph 7; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 66800 | Ph 8; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 54300 | Ph 9; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 19200 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Kabtangan | Bili | Kahimtang | Tinubdan |
Lang | 12.6 | Ph 1; Tats: 25 ° C | (1) ACD |
Lang | 133 | Ph 2; Tats: 25 ° C | (1) ACD |
Lang | 5790 | Ph 3; Tats: 25 ° C | (1) ACD |
Lang | 57400 | Ph 4; Tats: 25 ° C | (1) ACD |
Lang | 94500 | Ph 5; Tats: 25 ° C | (1) ACD |
Lang | 1.00 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
Lang | 1.00 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
Lang | 98200 | Ph 8; Tats: 25 ° C | (1) ACD |
Lang | 79700 | Ph 9; Tats: 25 ° C | (1) ACD |
Lang | 28200 | Ph 10; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
troso | 2.76 | Ph 1; Tats: 25 ° C | (1) ACD |
troso | 3.79 | Ph 2; Tats: 25 ° C | (1) ACD |
troso | 5.43 | Ph 3; Tats: 25 ° C | (1) ACD |
troso | 6.42 | Ph 4; Tats: 25 ° C | (1) ACD |
troso | 6.64 | Ph 5; Tats: 25 ° C | (1) ACD |
troso | 6.66 | Ph 6; Tats: 25 ° C | (1) ACD |
troso | 6.66 | Ph 7; Tats: 25 ° C | (1) ACD |
troso | 6.65 | Ph 8; Tats: 25 ° C | (1) ACD |
troso | 6.56 | Ph 9; Tats: 25 ° C | (1) ACD |
troso | 6.11 | Ph 10; Tats: 25 ° C | (1) ACD |
logP | 6.666 ± 0.764 | Tats: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 4.5 x 10-5 g / l | Tats: 25 ° C | (1) ACD |
Mass Solubility | 0.36 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
Mass Solubility | 0.035 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
Mass Solubility | 7.90 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
Mass Solubility | 7.9 x 10-5 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.8 x 10-5 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.6 x 10-5 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.6 x 10-5 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.7 x 10-5 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
Mass Solubility | 5.7 x 10-5 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.6 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.6 x 10-5 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Molar intrinsic solubility | 5.7 x 10-8 MOL / L | Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.6 x 10-4 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.4 x 10-5 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.00 x 10-6 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.0 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.1 x 10-8 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-8 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-8 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.9 x 10-8 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Molar Solubility | 7.2 x 10-8 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
Molar Solubility | 2.0 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-8 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 789.83 | ||
pka | 10.11 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
pka | 3.57 ± 0.20 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Kabtangan | Bili | Gigikanan sa kondisyon |
Dapit sa Polar sa Polar | 158 A2 | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD