ChemSpider 2D Image | (1R,2S,3S,4S)-4-(6-Amino-9H-purin-9-yl)-1,2,3-cyclopentanetriol | C10H13N5O3

(1R,2S,3S,4S)-4-(6-Amino-9H-purin-9-yl)-1,2,3-cyclopentanetriol

  • Molecular FormulaC10H13N5O3
  • Average mass251.242 Da
  • Monoisotopic mass251.101837 Da
  • ChemSpider ID62426558
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2S,3S,4S)-4-(6-Amino-9H-purin-9-yl)-1,2,3-cyclopentanetriol [ACD/IUPAC Name]
(1R,2S,3S,4S)-4-(6-Amino-9H-purin-9-yl)-1,2,3-cyclopentanetriol [French] [ACD/IUPAC Name]
(1R,2S,3S,4S)-4-(6-Amino-9H-purin-9-yl)-1,2,3-cyclopentantriol [German] [ACD/IUPAC Name]
1,2,3-Cyclopentanetriol, 4-(6-amino-9H-purin-9-yl)-, (1R,2S,3S,4S)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 563.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction: 1.946
Molar Refractivity: 58.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.45
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.15
Polar Surface Area: 130 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 109.6±7.0 dyne/cm
Molar Volume: 121.7±7.0 cm3

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