Found 1 result

Search term: CCCOc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | 9-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-propoxy-9H-purin-2-amine | C13H20N5O7P

9-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-propoxy-9H-purin-2-amine

  • Molecular FormulaC13H20N5O7P
  • Average mass389.301 Da
  • Monoisotopic mass389.110046 Da
  • ChemSpider ID59053049

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

9-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-propoxy-9H-purin-2-amine [ACD/IUPAC Name]
9-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-propoxy-9H-purin-2-amin [German] [ACD/IUPAC Name]
9-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-6-propoxy-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 9-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-propoxy- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 777.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.8±35.7 °C
Index of Refraction: 1.751
Molar Refractivity: 84.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 91.3±7.0 dyne/cm
Molar Volume: 206.2±7.0 cm3

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