ChemSpider 2D Image | (2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-({[hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide | C10H13N5O12P2S

(2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-({[hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide

  • Molecular FormulaC10H13N5O12P2S
  • Average mass489.249 Da
  • Monoisotopic mass488.975677 Da
  • ChemSpider ID26326975

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3aR,4R,6R,6aR) 2-Oxyde de 4-(6-amino-9H-purin-9-yl)-6-({[hydroxy(sulfooxy)phosphoryl]oxy}méthyl)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-({[(R)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-2-ol 2-oxide
(2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-({[hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide [ACD/IUPAC Name]
(2S,3aR,4R,6R,6aR)-4-(6-Amino-9H-purin-9-yl)-6-({[hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol-2-oxid [German] [ACD/IUPAC Name]
GGZ

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

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.960
Molar Refractivity: 88.1±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 6
#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: 273 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 189.0±7.0 dyne/cm
Molar Volume: 181.1±7.0 cm3

Click to predict properties on the Chemicalize site


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