ChemSpider 2D Image | Remogliflozin | C23H32N2O8

Remogliflozin

  • Molecular FormulaC23H32N2O8
  • Average mass464.509 Da
  • Monoisotopic mass464.215851 Da
  • ChemSpider ID24706874

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-[(4-Isopropoxyphenyl)acetyl]-5-isopropyl-1H-pyrazol-3-yl hexopyranoside [ACD/IUPAC Name]
4-[(4-Isopropoxyphenyl)acetyl]-5-isopropyl-1H-pyrazol-3-ylhexopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[3-(hexopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl]-2-[4-(1-methylethoxy)phenyl]- [ACD/Index Name]
Hexopyranoside de 4-[2-(4-isopropoxyphényl)acétyl]-5-isopropyl-1H-pyrazol-3-yle [French] [ACD/IUPAC Name]
Remogliflozin [INN]
2-(4-propan-2-yloxyphenyl)-1-[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]ethanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494322/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 70.75
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.69
ACD/KOC (pH 7.4): 70.59
Polar Surface Area: 154 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 347.8±3.0 cm3

Click to predict properties on the Chemicalize site


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