ChemSpider 2D Image | (2R)-2-{(2R,3R)-3-(Benzyloxy)-2-[(4-methoxybenzyl)oxy]butyl}-6-{(3E)-5-[(4-methoxybenzyl)oxy]-2-methyl-3-penten-2-yl}-2,3-dihydro-4H-pyran-4-one | C38H46O7

(2R)-2-{(2R,3R)-3-(Benzyloxy)-2-[(4-methoxybenzyl)oxy]butyl}-6-{(3E)-5-[(4-methoxybenzyl)oxy]-2-methyl-3-penten-2-yl}-2,3-dihydro-4H-pyran-4-one

  • Molecular FormulaC38H46O7
  • Average mass614.768 Da
  • Monoisotopic mass614.324341 Da
  • ChemSpider ID9562848

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-{(2R,3R)-3-(Benzyloxy)-2-[(4-methoxybenzyl)oxy]butyl}-6-{(3E)-5-[(4-methoxybenzyl)oxy]-2-methyl-3-penten-2-yl}-2,3-dihydro-4H-pyran-4-on [German] [ACD/IUPAC Name]
(2R)-2-{(2R,3R)-3-(Benzyloxy)-2-[(4-methoxybenzyl)oxy]butyl}-6-{(3E)-5-[(4-methoxybenzyl)oxy]-2-methyl-3-penten-2-yl}-2,3-dihydro-4H-pyran-4-one [ACD/IUPAC Name]
(2R)-2-{(2R,3R)-3-(Benzyloxy)-2-[(4-méthoxybenzyl)oxy]butyl}-6-{(3E)-5-[(4-méthoxybenzyl)oxy]-2-méthyl-3-pentén-2-yl}-2,3-dihydro-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,3-dihydro-6-[(2E)-4-[(4-methoxyphenyl)methoxy]-1,1-dimethyl-2-buten-1-yl]-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxy)butyl]-, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 285.5±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 176.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 88828.66
ACD/KOC (pH 5.5): 121270.05
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 88828.66
ACD/KOC (pH 7.4): 121270.05
Polar Surface Area: 72 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 548.2±3.0 cm3

Click to predict properties on the Chemicalize site


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