ChemSpider 2D Image | 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-5-O-beta-L-glucopyranuronosyl-beta-L-erythro-pentofuranosyl)-5-methyl- | C16H23N3O10

2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-5-O-β-L-glucopyranuronosyl-β-L-erythro-pentofuranosyl)-5-methyl-

  • Molecular FormulaC16H23N3O10
  • Average mass417.368 Da
  • Monoisotopic mass417.138336 Da
  • ChemSpider ID68024903
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-5-O-β-L-glucopyranuronosyl-β-L-erythro-pentofuranosyl)-5-methyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.99
ACD/LogD (pH 5.5): -6.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 94.0±5.0 dyne/cm
Molar Volume: 250.2±5.0 cm3

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