ChemSpider 2D Image | 2-Amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione | C10H14N5O6PS

2-Amino-9-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC10H14N5O6PS
  • Average mass363.287 Da
  • Monoisotopic mass363.040253 Da
  • ChemSpider ID59051606

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-9-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
2-Amino-9-(2-desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
2-Amino-9-(2-désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione, 2-amino-9-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1,9-dihydro- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 827.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 454.4±37.1 °C
Index of Refraction: 1.925
Molar Refractivity: 76.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -5.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 125.2±7.0 dyne/cm
Molar Volume: 161.0±7.0 cm3

Click to predict properties on the Chemicalize site


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