ChemSpider 2D Image | 4-[(2S)-2-Amino-3-hydroxypropyl]phenyl D-glucopyranosiduronic acid | C15H21NO8

4-[(2S)-2-Amino-3-hydroxypropyl]phenyl D-glucopyranosiduronic acid

  • Molecular FormulaC15H21NO8
  • Average mass343.329 Da
  • Monoisotopic mass343.126709 Da
  • ChemSpider ID57422698

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-[(2S)-2-Amino-3-hydroxypropyl]phenyl D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(2S)-2-Amino-3-hydroxypropyl]phenyl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide D-glucopyranosiduronique de 4-[(2S)-2-amino-3-hydroxypropyl]phényle [French] [ACD/IUPAC Name]
D-Glucopyranosiduronic acid, 4-[(2S)-2-amino-3-hydroxypropyl]phenyl [ACD/Index Name]
(2S,3S,4S,5R)-6-(4-((S)-2-Amino-3-hydroxypropyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
28116-28-1 [RN]
Tyrosol Glucuronide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 695.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.4±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 90.2±3.0 dyne/cm
Molar Volume: 221.1±3.0 cm3

Click to predict properties on the Chemicalize site


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