ChemSpider 2D Image | HESPERETIN 5,7-LAURATE | C40H58O8

HESPERETIN 5,7-LAURATE

  • Molecular FormulaC40H58O8
  • Average mass666.884 Da
  • Monoisotopic mass666.413147 Da
  • ChemSpider ID32701416

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-Hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-5,7-diyl-didodecanoat [German] [ACD/IUPAC Name]
(2S)-2-(3-Hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromene-5,7-diyl didodecanoate [ACD/IUPAC Name]
236104-53-3 [RN]
Didodécanoate de (2S)-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromène-5,7-diyle [French] [ACD/IUPAC Name]
Dodecanoic acid, (2S)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-5,7-diyl ester [ACD/Index Name]
HESPERETIN 5,7-LAURATE
HESPERETIN LAURATE
UNII-HP864VLN2T

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

WF940473MO [DBID]
UNII:WF940473MO [DBID]
UNII-WF940473MO [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 762.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 223.6±26.4 °C
Index of Refraction: 1.524
Molar Refractivity: 188.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 12.39
ACD/LogD (pH 5.5): 12.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 108 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 615.8±3.0 cm3

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