ChemSpider 2D Image | remogliflozin etabonate | C26H38N2O9

remogliflozin etabonate

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID8047110

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-(4-Isopropoxybenzyl)-1-isopropyl-5-methyl-1H-pyrazol-3-yl 6-O-(ethoxycarbonyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-(4-Isopropoxybenzyl)-1-isopropyl-5-methyl-1H-pyrazol-3-yl-6-O-(ethoxycarbonyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
442201-24-3 [RN]
6-O-(Éthoxycarbonyl)-β-D-glucopyranoside de 4-(4-isopropoxybenzyl)-1-isopropyl-5-méthyl-1H-pyrazol-3-yle [French] [ACD/IUPAC Name]
étabonate de rémogliflozine [French] [INN]
etabonato de remogliflozina [Spanish] [INN]
remogliflozin etabonate [INN] [USAN]
remogliflozini etabonas [Latin] [INN]
β-D-Glucopyranoside, 5-methyl-4-[[4-(1-methylethoxy)phenyl]methyl]-1-(1-methylethyl)-1H-pyrazol-3-yl 6-O-(ethoxycarbonyl)- [ACD/Index Name]
carbonic acid ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[4-[(4-isopropoxyphenyl)methyl]-1-isopropyl-5-methyl-3-pyrazolyl]oxy]-2-tetrahydropyranyl]methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8927 [DBID]
BHV091009 [DBID]
GSK 189075A [DBID]
GSK189075 [DBID]
TR0QT6QSUL [DBID]
UNII:TR0QT6QSUL [DBID]
UNII-TR0QT6QSUL [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.52
ACD/KOC (pH 5.5): 543.58
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.53
ACD/KOC (pH 7.4): 543.70
Polar Surface Area: 142 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 396.9±7.0 cm3

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