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C41H49FN5O8P cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-methylethyl) phosphor mersite] (ACI)

produkto

C41H49FN5O8P cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-methylethyl) phosphor membor] (ACI) na itinampok ng imahe
  • C41H49FN5O8P cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-methylethyl) phosphor mersite] (ACI)

C41H49FN5O8P cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-methylethyl) phosphor mersite] (ACI)

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Detalye ng sangkap

Numero ng rehistro ng CAS

159414-99-0

Mga pangunahing katangian ng pisikal Halaga Kundisyon
Molekular na timbang 789.83 -
pka (hinulaang) 10.11 ± 0.20 Karamihan sa acidic temp: 25 ° C.

 

Iba pang mga pangalan at pagkakakilanlan

Canonical smiles

N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = CC (= NC5 = O) NC (= O) C) N (C (C) C) C (C) C

Ngumiti si Isomeric

C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (o1) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = c (OC) C = C4) C5 = CC = CC = C5

Inchi

Inchi = 1S/C41H49FN5O8P/C1-27 (2) 47 (28 (3) 4) 56 (53-25-11-23-43) 55-38-35 (54-39 (37 (38) 42) 46-24-22-36 (44-29 (5) 48) 45-40 (46) 49) 26-52- 41 (30-12-9-8-10-13-30,31-14-18-33 (50-6) 19-15-31) 32-16-20-34 (51-7) 21-17-32/H8-10,12-22,24,27-28,35,37-39H, 11,25-26H2,1-7H3, (H, 44,45,48,49)/t35-, 37-, 38-, 39-, 56?/M1/S1

Inchi key

Cnfkjhkdsrxnfl-utxremqhsa-n

1 iba pang pangalan para sa sangkap na ito

Cytidine,N-acetyl -5 ′ -O-.
Magagamit ang spectra
Mass

Hinulaang mga pag -aari

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Biological
Kemikal
Lipinski
May kaugnayan sa istraktura

Biological

Ari -arian Halaga Kundisyon Pinagmulan
Bioconcentration factor 8.60 pH 1; Temp: 25 ° C. (1) ACD
Bioconcentration factor 90.3 Ph 2; Temp: 25 ° C. (1) ACD
Bioconcentration factor 3940 Ph 3; Temp: 25 ° C. (1) ACD
Bioconcentration factor 39100 Ph 4; Temp: 25 ° C. (1) ACD
Bioconcentration factor 64300 Ph 5; Temp: 25 ° C. (1) ACD
Bioconcentration factor 68100 Ph 6; Temp: 25 ° C. (1) ACD
Bioconcentration factor 68300 Ph 7; Temp: 25 ° C. (1) ACD
Bioconcentration factor 66800 Ph 8; Temp: 25 ° C. (1) ACD
Bioconcentration factor 54300 Ph 9; Temp: 25 ° C. (1) ACD
Bioconcentration factor 19200 Ph 10; Temp: 25 ° C. (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)

Kemikal

Ari -arian Halaga Kundisyon Pinagmulan
KOC 12.6 pH 1; Temp: 25 ° C. (1) ACD
KOC 133 Ph 2; Temp: 25 ° C. (1) ACD
KOC 5790 Ph 3; Temp: 25 ° C. (1) ACD
KOC 57400 Ph 4; Temp: 25 ° C. (1) ACD
KOC 94500 Ph 5; Temp: 25 ° C. (1) ACD
KOC 1.00 x 105 Ph 6; Temp: 25 ° C. (1) ACD
KOC 1.00 x 105 Ph 7; Temp: 25 ° C. (1) ACD
KOC 98200 Ph 8; Temp: 25 ° C. (1) ACD
KOC 79700 Ph 9; Temp: 25 ° C. (1) ACD
KOC 28200 Ph 10; Temp: 25 ° C. (1) ACD

 

Ari -arian Halaga Kundisyon Pinagmulan
logd 2.76 pH 1; Temp: 25 ° C. (1) ACD
logd 3.79 Ph 2; Temp: 25 ° C. (1) ACD
logd 5.43 Ph 3; Temp: 25 ° C. (1) ACD
logd 6.42 Ph 4; Temp: 25 ° C. (1) ACD
logd 6.64 Ph 5; Temp: 25 ° C. (1) ACD
logd 6.66 Ph 6; Temp: 25 ° C. (1) ACD
logd 6.66 Ph 7; Temp: 25 ° C. (1) ACD
logd 6.65 Ph 8; Temp: 25 ° C. (1) ACD
logd 6.56 Ph 9; Temp: 25 ° C. (1) ACD
logd 6.11 Ph 10; Temp: 25 ° C. (1) ACD
Logp 6.666 ± 0.764 Temp: 25 ° C. (1) ACD
Mass intrinsic solubility 4.5 x 10-5 g/l Temp: 25 ° C. (1) ACD
Solubility ng Mass 0.36 g/l pH 1; Temp: 25 ° C. (1) ACD
Solubility ng Mass 0.035 g/l Ph 2; Temp: 25 ° C. (1) ACD
Solubility ng Mass 7.90 x 10-4 g/l Ph 3; Temp: 25 ° C. (1) ACD
Solubility ng Mass 7.9 x 10-5 g/l Ph 4; Temp: 25 ° C. (1) ACD
Solubility ng Mass 4.8 x 10-5 g/l Ph 5; Temp: 25 ° C. (1) ACD
Solubility ng Mass 4.6 x 10-5 g/l Ph 6; Temp: 25 ° C. (1) ACD
Solubility ng Mass 4.6 x 10-5 g/l Ph 7; Temp: 25 ° C. (1) ACD
Solubility ng Mass 4.7 x 10-5 g/l Ph 8; Temp: 25 ° C. (1) ACD
Solubility ng Mass 5.7 x 10-5 g/l Ph 9; Temp: 25 ° C. (1) ACD
Solubility ng Mass 1.6 x 10-4 g/l Ph 10; Temp: 25 ° C. (1) ACD
Solubility ng Mass 4.6 x 10-5 g/l Hindi nabuong tubig pH 7.00; Temp: 25 ° C. (1) ACD
Molar intrinsic solubility 5.7 x 10-8 mol/l Temp: 25 ° C. (1) ACD
Molar solubility 4.6 x 10-4 mol/l pH 1; Temp: 25 ° C. (1) ACD
Molar solubility 4.4 x 10-5 mol/l Ph 2; Temp: 25 ° C. (1) ACD
Molar solubility 1.00 x 10-6 mol/l Ph 3; Temp: 25 ° C. (1) ACD
Molar solubility 1.0 x 10-7 mol/l Ph 4; Temp: 25 ° C. (1) ACD
Molar solubility 6.1 x 10-8 mol/l Ph 5; Temp: 25 ° C. (1) ACD
Molar solubility 5.8 x 10-8 mol/l Ph 6; Temp: 25 ° C. (1) ACD
Molar solubility 5.8 x 10-8 mol/l Ph 7; Temp: 25 ° C. (1) ACD
Molar solubility 5.9 x 10-8 mol/l Ph 8; Temp: 25 ° C. (1) ACD

 

Ari -arian Halaga Kundisyon Pinagmulan
Molar solubility 7.2 x 10-8 mol/l Ph 9; Temp: 25 ° C. (1) ACD
Molar solubility 2.0 x 10-7 mol/l Ph 10; Temp: 25 ° C. (1) ACD
Molar solubility 5.8 x 10-8 mol/l Hindi nabuong tubig pH 7.00; Temp: 25 ° C. (1) ACD
Molekular na timbang 789.83
PKA 10.11 ± 0.20 Karamihan sa acidic temp: 25 ° C. (1) ACD
PKA 3.57 ± 0.20 Karamihan sa mga pangunahing temp: 25 ° C. (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)

May kaugnayan sa istraktura

Ari -arian Halaga Mapagkukunan ng kondisyon
Polar Surface Area 158 A2 (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)

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