ChemSpider 2D Image | 3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE | C21H18ClFN2O8

3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE

  • Molecular FormulaC21H18ClFN2O8
  • Average mass480.828 Da
  • Monoisotopic mass480.073578 Da
  • ChemSpider ID52083784

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-3-(β-D-glucopyranuronosyloxy)-1,3-dihydro- [ACD/Index Name]
3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE
7-Chlor-5-(2-fluorphenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
7-Chloro-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
81944-07-2 [RN]
Acide β-D-glucopyranosiduronique de 7-chloro-5-(2-fluorophényl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-3-yle [French] [ACD/IUPAC Name]

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

TQV45T629X [DBID]
UNII:TQV45T629X [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 758.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.7±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 274.5±7.0 cm3

Click to predict properties on the Chemicalize site


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