ChemSpider 2D Image | velagliflozin | C23H25NO5

velagliflozin

  • Molecular FormulaC23H25NO5
  • Average mass395.448 Da
  • Monoisotopic mass395.173279 Da
  • ChemSpider ID58827717

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[4-cyan-3-(4-cyclopropylbenzyl)phenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-cyano-3-(4-cyclopropylbenzyl)phenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-cyano-3-(4-cyclopropylbenzyl)phényl]-D-glucitol [French] [ACD/IUPAC Name]
946525-65-1 [RN]
D-Glucitol, 1,5-anhydro-1-C-[4-cyano-3-[(4-cyclopropylphenyl)methyl]phenyl]-, (1S)- [ACD/Index Name]
UNII:FV2YU8SL0P
velagliflozin [INN]
velagliflozina [Spanish] [INN]
velagliflozine [French] [INN]
vélagliflozine [French] [INN]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.41
ACD/KOC (pH 5.5): 517.34
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.41
ACD/KOC (pH 7.4): 517.34
Polar Surface Area: 114 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

Click to predict properties on the Chemicalize site


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