ChemSpider 2D Image | (3S,4aR,5aS,6S,8S,9aR,10aS)-6-(Benzyloxy)-8-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-4a,5a-dimethyl-2-methylenedecahydro-2H-dipyrano[3,2-b:2',3'-e]pyran | C39H48O7

(3S,4aR,5aS,6S,8S,9aR,10aS)-6-(Benzyloxy)-8-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-4a,5a-dimethyl-2-methylenedecahydro-2H-dipyrano[3,2-b:2',3'-e]pyran

  • Molecular FormulaC39H48O7
  • Average mass628.794 Da
  • Monoisotopic mass628.340027 Da
  • ChemSpider ID9448632

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,4aR,5aS,6S,8S,9aR,10aS)-6-(Benzyloxy)-8-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-4a,5a-dimethyl-2-methylendecahydro-2H-dipyrano[3,2-b:2',3'-e]pyran [German] [ACD/IUPAC Name]
(3S,4aR,5aS,6S,8S,9aR,10aS)-6-(Benzyloxy)-8-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-4a,5a-dimethyl-2-methylenedecahydro-2H-dipyrano[3,2-b:2',3'-e]pyran [ACD/IUPAC Name]
(3S,4aR,5aS,6S,8S,9aR,10aS)-6-(Benzyloxy)-8-[3-(benzyloxy)propyl]-3-[(4-méthoxybenzyl)oxy]-4a,5a-diméthyl-2-méthylènedécahydro-2H-dipyrano[3,2-b:2',3'-e]pyrane [French] [ACD/IUPAC Name]
D-ribo-D-allo-Pentadec-14-enitol, 4,8:7,11:10,14-trianhydro-2,3,5,9,12,15-hexadeoxy-13-O-[(4-methoxyphenyl)methyl]-7,11-di-C-methyl-1,6-bis-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 257.8±32.8 °C
Index of Refraction: 1.586
Molar Refractivity: 178.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 548418.25
ACD/KOC (pH 5.5): 446300.34
ACD/LogD (pH 7.4): 7.85
ACD/BCF (pH 7.4): 548418.25
ACD/KOC (pH 7.4): 446300.34
Polar Surface Area: 65 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 533.3±5.0 cm3

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