ChemSpider 2D Image | PSI-352938 | C16H23FN5O6P

ψ-352938

  • Molecular FormulaC16H23FN5O6P
  • Average mass431.356 Da
  • Monoisotopic mass431.136993 Da
  • ChemSpider ID32702220

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1199809-32-9 [RN]
6-Ethoxy-9-[(2S,4aR,6R,7R,7aR)-7-fluor-2-isopropoxy-7-methyl-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-Ethoxy-9-[(2S,4aR,6R,7R,7aR)-7-fluoro-2-isopropoxy-7-methyl-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-2-amine [ACD/IUPAC Name]
6-Éthoxy-9-[(2S,4aR,6R,7R,7aR)-7-fluoro-2-isopropoxy-7-méthyl-2-oxydotétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-ethoxy-9-[(2S,4aR,6R,7R,7aR)-7-fluorotetrahydro-7-methyl-2-(1-methylethoxy)-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
ψ-352938
1199809-77-2 [RN]

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

3Z30JH9QX1 [DBID]
UNII:3Z30JH9QX1 [DBID]
UNII-3Z30JH9QX1 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 622.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.3±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 89.86
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 90.34
Polar Surface Area: 143 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 252.6±7.0 cm3

Click to predict properties on the Chemicalize site


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