ChemSpider 2D Image | Diethyl (2R,3S)-2,3-bis[4-(benzyloxy)-3-methoxybenzoyl]succinate | C38H38O10

Diethyl (2R,3S)-2,3-bis[4-(benzyloxy)-3-methoxybenzoyl]succinate

  • Molecular FormulaC38H38O10
  • Average mass654.702 Da
  • Monoisotopic mass654.246521 Da
  • ChemSpider ID7780268

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2,3-Bis[4-(benzyloxy)-3-méthoxybenzoyl]succinate de diéthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis[3-methoxy-4-(phenylmethoxy)benzoyl]-, diethyl ester, (2R,3S)- [ACD/Index Name]
Diethyl (2R,3S)-2,3-bis[4-(benzyloxy)-3-methoxybenzoyl]succinate [ACD/IUPAC Name]
Diethyl-(2R,3S)-2,3-bis[4-(benzyloxy)-3-methoxybenzoyl]succinat [German] [ACD/IUPAC Name]

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

ZINC08384476 [DBID]
ZINC08384482 [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: 779.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 317.1±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 177.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 9.08
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 139599.42
ACD/KOC (pH 5.5): 167596.75
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 137886.45
ACD/KOC (pH 7.4): 165540.22
Polar Surface Area: 124 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 537.6±3.0 cm3

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