ChemSpider 2D Image | salicyluric beta-D-glucuronide | C15H17NO10

salicyluric β-D-glucuronide

  • Molecular FormulaC15H17NO10
  • Average mass371.296 Da
  • Monoisotopic mass371.085236 Da
  • ChemSpider ID58163587

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-[N-(2-Hydroxybenzoyl)glycyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[N-(2-Hydroxybenzoyl)glycyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[N-(2-hydroxybenzoyl)glycyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
salicyluric β-D-glucuronide
β-D-Glucopyranuronic acid, 1-O-[N-(2-hydroxybenzoyl)glycyl]- [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[(2-hydroxyphenyl)formamido]acetyl}oxy)oxane-2-carboxylic acid
1-O-[N-(2-hydroxybenzoyl)glycyl]-β-D-glucronic acid
1-O-salicyluroyl-β-D-glucuronic acid
salicyluric 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: 1.7±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.3±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 99.1±5.0 dyne/cm
Molar Volume: 219.4±5.0 cm3

Click to predict properties on the Chemicalize site


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