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Search term: 35031864 (Found by CSID)
ChemSpider 2D Image | 4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenyl beta-D-glucopyranosiduronic acid | C20H29NO8

4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC20H29NO8
  • Average mass411.446 Da
  • Monoisotopic mass411.189331 Da
  • ChemSpider ID35031864

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[2-amino-1-(1-hydroxycyclohexyl)éthyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-{4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
1799830-07-1 [RN]
O-Desmethylvenlafaxine glucuronide

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 82.1±3.0 dyne/cm
Molar Volume: 281.9±3.0 cm3

Click to predict properties on the Chemicalize site


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