ChemSpider 2D Image | 1,4:3,6-Dianhydro-2-deoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-O-[(4-phenoxyphenyl)carbamoyl]-D-glucitol | C29H25FN4O5

1,4:3,6-Dianhydro-2-deoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-O-[(4-phenoxyphenyl)carbamoyl]-D-glucitol

  • Molecular FormulaC29H25FN4O5
  • Average mass528.531 Da
  • Monoisotopic mass528.180908 Da
  • ChemSpider ID10087438

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-2-deoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-O-[(4-phenoxyphenyl)carbamoyl]-D-glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-désoxy-2-{[4-(3-fluorophényl)-2-pyrimidinyl]amino}-5-O-[(4-phénoxyphényl)carbamoyl]-D-glucitol [French] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-desoxy-2-{[4-(3-fluorphenyl)-2-pyrimidinyl]amino}-5-O-[(4-phenoxyphenyl)carbamoyl]-D-glucitol [German] [ACD/IUPAC Name]
D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-, 5-[(4-phenoxyphenyl)carbamate] [ACD/Index Name]

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

ZINC05434058 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4339.52
ACD/KOC (pH 5.5): 13963.18
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4349.58
ACD/KOC (pH 7.4): 13995.53
Polar Surface Area: 104 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 372.5±5.0 cm3

Click to predict properties on the Chemicalize site


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