ChemSpider 2D Image | (2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosp hate | C20H25N10O10P

(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosp hate

  • Molecular FormulaC20H25N10O10P
  • Average mass596.447 Da
  • Monoisotopic mass596.149292 Da
  • ChemSpider ID416532

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosp hate [ACD/IUPAC Name]
(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl-[(2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methylhydrogenphospha t [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxyméthyl)tétrahydro-3-furanyle et de [(2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxytétrahydro-2- furanyl]méthyle [French] [ACD/IUPAC Name]
Phosphoric acid 5-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester 5-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester

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

AIDS082133 [DBID]
AIDS-082133 [DBID]
CCRIS 8681 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1117.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.2±3.0 kJ/mol
Flash Point: 629.5±37.1 °C
Index of Refraction: 1.987
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -6.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 140.4±7.0 dyne/cm
Molar Volume: 256.2±7.0 cm3

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