ChemSpider 2D Image | HESPERETIN 7-LAURATE | C28H36O7

HESPERETIN 7-LAURATE

  • Molecular FormulaC28H36O7
  • Average mass484.581 Da
  • Monoisotopic mass484.246094 Da
  • ChemSpider ID32700577

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl laurate [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yllaurat [German] [ACD/IUPAC Name]
236104-52-2 [RN]
Dodecanoic acid, (2S)-3,4-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]
HESPERETIN 7-LAURATE
Laurate de (2S)-5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
HESPERETIN LAURATE
UNII-HP864VLN2T

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

O5K2NJA79B [DBID]
UNII:O5K2NJA79B [DBID]
UNII-O5K2NJA79B [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 216.7±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 610625.19
ACD/KOC (pH 5.5): 475537.81
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 131657.84
ACD/KOC (pH 7.4): 102531.45
Polar Surface Area: 102 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 411.5±3.0 cm3

Click to predict properties on the Chemicalize site


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