Found 1 result

Search term: NONSBAHWXCNSII (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5-Chloro-1-(beta-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione | C10H13ClN2O7

5-Chloro-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H13ClN2O7
  • Average mass308.672 Da
  • Monoisotopic mass308.041138 Da
  • ChemSpider ID28516605
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2,4(1H,3H)-Pyrimidinedione, 5-chloro-1-β-D-glucopyranosyl- [ACD/Index Name]
5-Chlor-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Chloro-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Chloro-1-(β-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-Chloro-1-(β-D-Glucopyranosyl)pyrimidine-2,4(1h,3h)-Dione
GPQ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.33
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.40
Polar Surface Area: 140 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 102.8±5.0 dyne/cm
Molar Volume: 168.8±5.0 cm3

Click to predict properties on the Chemicalize site






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