ChemSpider 2D Image | (1R,2S)-8-[(2S)-3-({2-[(1E,3R,4S)-3,4-Dihydroxy-1-hepten-1-yl]-6-methoxybenzyl}oxy)-2-hydroxy-3-methylbutyl]-1,11-dihydroxy-2-isopropenyl-5-methyl-2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one | C40H48O10

(1R,2S)-8-[(2S)-3-({2-[(1E,3R,4S)-3,4-Dihydroxy-1-hepten-1-yl]-6-methoxybenzyl}oxy)-2-hydroxy-3-methylbutyl]-1,11-dihydroxy-2-isopropenyl-5-methyl-2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one

  • Molecular FormulaC40H48O10
  • Average mass688.803 Da
  • Monoisotopic mass688.324768 Da
  • ChemSpider ID40256636

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S)-8-[(2S)-3-({2-[(1E,3R,4S)-3,4-Dihydroxy-1-hepten-1-yl]-6-methoxybenzyl}oxy)-2-hydroxy-3-methylbutyl]-1,11-dihydroxy-2-isopropenyl-5-methyl-2,3-dihydropyrano[3,2-a]xanthen-12(1H)-on [German] [ACD/IUPAC Name]
(1R,2S)-8-[(2S)-3-({2-[(1E,3R,4S)-3,4-Dihydroxy-1-hepten-1-yl]-6-methoxybenzyl}oxy)-2-hydroxy-3-methylbutyl]-1,11-dihydroxy-2-isopropenyl-5-methyl-2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one [ACD/IUPAC Name]
(1R,2S)-8-[(2S)-3-({2-[(1E,3R,4S)-3,4-Dihydroxy-1-heptén-1-yl]-6-méthoxybenzyl}oxy)-2-hydroxy-3-méthylbutyl]-1,11-dihydroxy-2-isopropényl-5-méthyl-2,3-dihydropyrano[3,2-a]xanthén-12(1H)-one [French] [ACD/IUPAC Name]
Pyrano[3,2-a]xanthen-12(1H)-one, 8-[(2S)-3-[[2-[(1E,3R,4S)-3,4-dihydroxy-1-hepten-1-yl]-6-methoxyphenyl]methoxy]-2-hydroxy-3-methylbutyl]-2,3-dihydro-1,11-dihydroxy-5-methyl-2-(1-methylethenyl)-, (1R, 2S)- [ACD/Index Name]
Varioxiranol F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 874.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 266.8±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 190.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10492.70
ACD/KOC (pH 5.5): 26134.91
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 4062.35
ACD/KOC (pH 7.4): 10118.39
Polar Surface Area: 155 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 539.3±3.0 cm3

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