ChemSpider 2D Image | MFCD11502239 | C29H34O10

MFCD11502239

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID22900624

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3ξ)-6-O-Benzoyl-2-désoxy-4,5-O-isopropylidène-3-O-(4-méthoxybenzyl)-2-(2-méthoxy-2-oxoéthylidène)-L-érythro-hexonate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3ξ)-6-O-benzoyl-2-deoxy-4,5-O-isopropylidene-3-O-(4-methoxybenzyl)-2-(2-methoxy-2-oxoethylidene)-L-erythro-hexonate [ACD/IUPAC Name]
Ethyl-(3ξ)-6-O-benzoyl-2-desoxy-4,5-O-isopropyliden-3-O-(4-methoxybenzyl)-2-(2-methoxy-2-oxoethyliden)-L-erythro-hexonat [German] [ACD/IUPAC Name]
L-erythro-Hept-2-enonic acid, 2,3-dideoxy-3-(ethoxycarbonyl)-4-O-[(4-methoxyphenyl)methyl]-5,6-O-(1-methylethylidene)-, methyl ester, benzoate, (2Z,4ξ)- [ACD/Index Name]
MFCD11502239

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 270.5±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 18000.09
ACD/KOC (pH 5.5): 38682.32
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 18000.09
ACD/KOC (pH 7.4): 38682.32
Polar Surface Area: 116 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 455.2±3.0 cm3

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