ChemSpider 2D Image | 1-Deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-1,3,4,7-tetrahydro-8(2H)-pteridinyl]-D-ribitol | C12H18N4O7

1-Deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-1,3,4,7-tetrahydro-8(2H)-pteridinyl]-D-ribitol

  • Molecular FormulaC12H18N4O7
  • Average mass330.294 Da
  • Monoisotopic mass330.117554 Da
  • ChemSpider ID48057900

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-1,3,4,7-tetrahydro-8(2H)-pteridinyl]-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-[6-(hydroxymethyl)-2,4-dioxo-1,3,4,7-tetrahydro-8(2H)-pteridinyl]-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[6-(hydroxyméthyl)-2,4-dioxo-1,3,4,7-tétrahydro-8(2H)-ptéridinyl]-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-[1,3,4,7-tetrahydro-6-(hydroxymethyl)-2,4-dioxo-8(2H)-pteridinyl]- [ACD/Index Name]
1403761-27-2 [RN]
6-(hydroxymethyl)-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,7-dihydropteridine-2,4-dione

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 71.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.22
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 92.1±7.0 dyne/cm
Molar Volume: 174.7±7.0 cm3

Click to predict properties on the Chemicalize site


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