ChemSpider 2D Image | (2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide | C10H12N5O5PS

(2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide

  • Molecular FormulaC10H12N5O5PS
  • Average mass345.272 Da
  • Monoisotopic mass345.029663 Da
  • ChemSpider ID35034262

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3aR,4R,6R,6aR) 2-Sulfure de 4-(6-amino-9H-purin-9-yl)-6-(hydroxyméthyl)tétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol [French] [ACD/IUPAC Name]
(2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide [ACD/IUPAC Name]
(2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol-2-sulfid [German] [ACD/IUPAC Name]
[(3ar,4r,6r,6ar)-4-(6-Aminopurin-9-Yl)-2-Oxidanyl-2-Sulfanylidene-3a,4,6,6a-Tetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-6-Yl]methanol
Furo[3,4-d]-1,3,2-dioxaphosphole-4-methanol, 6-(6-amino-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-sulfide, (2S,3aR,4R,6R,6aR)- [ACD/Index Name]
QQX

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

Density: 2.4±0.1 g/cm3
Boiling Point: 679.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.6±34.3 °C
Index of Refraction: 2.027
Molar Refractivity: 73.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 180 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 134.2±7.0 dyne/cm
Molar Volume: 144.5±7.0 cm3

Click to predict properties on the Chemicalize site


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