Found 1 result

Search term: O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1c2cccc3cccc([nH]c1=O)c23 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one | C16H17N2O7P

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one

  • Molecular FormulaC16H17N2O7P
  • Average mass380.289 Da
  • Monoisotopic mass380.077332 Da
  • ChemSpider ID59053693

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one [ACD/IUPAC Name]
1-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-on [German] [ACD/IUPAC Name]
1-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-1H-périmidin-2(3H)-one [French] [ACD/IUPAC Name]
1H-Perimidin-2(3H)-one, 1-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 83.4±3.0 dyne/cm
Molar Volume: 233.2±3.0 cm3

Click to predict properties on the Chemicalize site


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