ChemSpider 2D Image | [5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl 4-carbamoyl-21-hydroxy-22,22-dimethyl-2,10,16,20-tetraoxo-12-thia-3,9,15,19-tetraazatricosan-23-yl dihydrogen diphospha
te | C31H53N10O19P3S

[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl 4-carbamoyl-21-hydroxy-22,22-dimethyl-2,10,16,20-tetraoxo-12-thia-3,9,15,19-tetraazatricosan-23-yl dihydrogen diphospha te

  • Molecular FormulaC31H53N10O19P3S
  • Average mass994.794 Da
  • Monoisotopic mass994.242188 Da
  • ChemSpider ID22376099

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl 4-carbamoyl-21-hydroxy-22,22-dimethyl-2,10,16,20-tetraoxo-12-thia-3,9,15,19-tetraazatricosan-23-yl dihydrogen diphospha te [ACD/IUPAC Name]
[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl-4-carbamoyl-21-hydroxy-22,22-dimethyl-2,10,16,20-tetraoxo-12-thia-3,9,15,19-tetraazatricosan-23-yldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[[20-(aminocarbonyl)-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofuranosy l]- [ACD/Index Name]
Dihydrogénodiphosphate de [5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]méthyle et de 4-carbamoyl-21-hydroxy-22,22-diméthyl-2,10,16,20-tétraoxo-12-thia-3,9,15,19-tétraazatr icosan-23-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 214.2±0.5 cm3
#H bond acceptors: 29
#H bond donors: 14
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: -6.69
ACD/LogD (pH 5.5): -12.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 503 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 90.5±7.0 dyne/cm
Molar Volume: 553.7±7.0 cm3

Click to predict properties on the Chemicalize site






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