ChemSpider 2D Image | 4-[2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenyl beta-D-glucopyranosiduronic acid | C27H35NO8

4-[2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H35NO8
  • Average mass501.569 Da
  • Monoisotopic mass501.236267 Da
  • ChemSpider ID4957603

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

4-[2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[2-(4-benzyl-1-pipéridinyl)-1-hydroxypropyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]phenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-[4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
66516-92-5 [RN]
Ifenprodil glucuronide
β-D-Glucopyranosiduronic acid, 4-(1-hydroxy-2-(4-(phenylmethyl)-1-piperidinyl)propyl)phenyl

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 367.6±3.0 cm3

Click to predict properties on the Chemicalize site


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