ChemSpider 2D Image | KMD-3213G | C31H40F3N3O10

KMD-3213G

  • Molecular FormulaC31H40F3N3O10
  • Average mass671.659 Da
  • Monoisotopic mass671.266602 Da
  • ChemSpider ID9709691

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1H-Indole-7-carboxamide, 1-[3-(β-D-glucopyranuronosyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]- [ACD/Index Name]
3-{7-Carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluorethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}propyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
3-{7-Carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}propyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
879396-70-0 [RN]
Acide β-D-glucopyranosiduronique de 3-{7-carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroéthoxy)phénoxy]éthyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}propyle [French] [ACD/IUPAC Name]
KMD-3213G
Silodosin-β,D-glucuronide

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

61Q978167Z [DBID]
UNII:61Q978167Z [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 806.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 441.5±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 461.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement