ChemSpider 2D Image | 5-[(E)-[(3aR,6S,6aR)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-ylidene](3,4,5-trimethoxyphenyl)methyl]-2-methoxyphenol | C29H36O10

5-[(E)-[(3aR,6S,6aR)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-ylidene](3,4,5-trimethoxyphenyl)methyl]-2-methoxyphenol

  • Molecular FormulaC29H36O10
  • Average mass544.590 Da
  • Monoisotopic mass544.230835 Da
  • ChemSpider ID26613249
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5-[(E)-[(3aR,6S,6aR)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-yliden](3,4,5-trimethoxyphenyl)methyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
5-[(E)-[(3aR,6S,6aR)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-ylidene](3,4,5-trimethoxyphenyl)methyl]-2-methoxyphenol [ACD/IUPAC Name]
5-[(E)-[(3aR,6S,6aR)-6-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-ylidène](3,4,5-triméthoxyphényl)méthyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
2.5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-methoxyphenyl]-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 669.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1400.59
ACD/KOC (pH 5.5): 6218.87
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1386.30
ACD/KOC (pH 7.4): 6155.41
Polar Surface Area: 103 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 446.0±3.0 cm3

Click to predict properties on the Chemicalize site






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