ChemSpider 2D Image | (2r,3r,4s,5r)-5-({[(R)-{[(R)-{[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methoxy}(Hydroxy)phosphoryl]oxy}(Hydroxy)phosphoryl]oxy}methyl)-3,4-Dihydroxytetrahydrofuran-2-Yl Acetate | C17H25N5O15P2

(2r,3r,4s,5r)-5-({[(R)-{[(R)-{[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methoxy}(Hydroxy)phosphoryl]oxy}(Hydroxy)phosphoryl]oxy}methyl)-3,4-Dihydroxytetrahydrofuran-2-Yl Acetate

  • Molecular FormulaC17H25N5O15P2
  • Average mass601.352 Da
  • Monoisotopic mass601.082000 Da
  • ChemSpider ID25061185

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furan yl acetate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furan yl-acetat (non-preferred name) [German] [ACD/IUPAC Name]
(2r,3r,4s,5r)-5-({[(R)-{[(R)-{[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methoxy}(Hydroxy)phosphoryl]oxy}(Hydroxy)phosphoryl]oxy}methyl)-3,4-Dihydroxytetrahydrofuran-2-Yl Acetate
Acétate de (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-3,4-dihydroxytétrahy dro-2-furanyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.2±0.0 g/cm3
Boiling Point: 930.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 141.7±0.0 kJ/mol
Flash Point: 516.3±0.0 °C
Index of Refraction: 1.808
Molar Refractivity: 115.3±0.0 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 45.7±0.0 10-24cm3
Surface Tension: 124.9±0.0 dyne/cm
Molar Volume: 267.8±0.0 cm3

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