Found 10 results

Search term: MF = 'C_{17}H_{20}O_{11}'
ChemSpider 2D Image | 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide | C17H20O11

5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone-4'-O-glucuronide

  • Molecular FormulaC17H20O11
  • Average mass400.334 Da
  • Monoisotopic mass400.100555 Da
  • ChemSpider ID35031671

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2(3H)-Furanone, 5-[[4-(β-D-glucopyranuronosyloxy)-3,5-dihydroxyphenyl]methyl]dihydro- [ACD/Index Name]
2,6-Dihydroxy-4-[(5-oxotetrahydro-2-furanyl)methyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2,6-Dihydroxy-4-[(5-oxotetrahydro-2-furanyl)methyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone-4'-O-glucuronide
Acide β-D-glucopyranosiduronique de 2,6-dihydroxy-4-[(5-oxotétrahydro-2-furanyl)méthyl]phényle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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: 812.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 295.1±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.60
ACD/LogD (pH 5.5): -5.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 103.9±3.0 dyne/cm
Molar Volume: 232.2±3.0 cm3

Click to predict properties on the Chemicalize site


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