Found 1 result

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

ChemSpider 2D Image | 5-Ethyl-5-phenyl-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | C26H30N2O12

5-Ethyl-5-phenyl-1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC26H30N2O12
  • Average mass562.523 Da
  • Monoisotopic mass562.179871 Da
  • ChemSpider ID152567
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)- [ACD/Index Name]
5-Ethyl-5-phenyl-1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-Éthyl-5-phényl-1-(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-Ethyl-5-phenyl-1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
1-(2,3,4,6-Tetraacetyl-β-D-glucopyranosyl)phenobarbital
72209-11-1 [RN]
TAGPP

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.26
ACD/KOC (pH 5.5): 793.20
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 40.04
ACD/KOC (pH 7.4): 400.76
Polar Surface Area: 181 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 403.8±5.0 cm3

Click to predict properties on the Chemicalize site






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