ChemSpider 2D Image | 4-Nitrophenyl beta-D-galactopyranosiduronic acid | C12H13NO9

4-Nitrophenyl β-D-galactopyranosiduronic acid

  • Molecular FormulaC12H13NO9
  • Average mass315.233 Da
  • Monoisotopic mass315.059021 Da
  • ChemSpider ID28295843

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

39031-76-0 [RN]
4-Nitrophenyl β-D-galactopyranosiduronic acid [ACD/IUPAC Name]
4-Nitrophenyl-β-D-galactopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-galactopyranosiduronique de 4-nitrophényle [French] [ACD/IUPAC Name]
β-D-Galactopyranosiduronic acid, 4-nitrophenyl [ACD/Index Name]
(2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylic acid
10344-94-2 [RN]
4-Nitrophenyl b-D-galactopyranosiduronic acid
4-NITROPHENYL-β-D-GLUCURONIDE
P-NITROPHENYL β-D-GALACTOPYRANOSIDURONIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 644.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -3.85
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: 162 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 99.8±3.0 dyne/cm
Molar Volume: 182.0±3.0 cm3

Click to predict properties on the Chemicalize site


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