ChemSpider 2D Image | 4-[(3S,4S)-3-(2,6-Diamino-9H-purin-9-yl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanoic acid | C19H27N7O5

4-[(3S,4S)-3-(2,6-Diamino-9H-purin-9-yl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanoic acid

  • Molecular FormulaC19H27N7O5
  • Average mass433.462 Da
  • Monoisotopic mass433.207367 Da
  • ChemSpider ID68382509

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Oxa-9-azaspiro[5.5]undecane-9-butanoic acid, 3-(2,6-diamino-9H-purin-9-yl)-4-hydroxy-4-methyl-γ-oxo-, (3S,4S)- [ACD/Index Name]
4-[(3S,4S)-3-(2,6-Diamino-9H-purin-9-yl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(3S,4S)-3-(2,6-Diamino-9H-purin-9-yl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(3S,4S)-3-(2,6-diamino-9H-purin-9-yl)-4-hydroxy-4-méthyl-1-oxa-9-azaspiro[5.5]undéc-9-yl]-4-oxobutanoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 868.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.2±3.0 kJ/mol
Flash Point: 478.9±37.1 °C
Index of Refraction: 1.760
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.48
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 80.2±7.0 dyne/cm
Molar Volume: 258.9±7.0 cm3

Click to predict properties on the Chemicalize site


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