ChemSpider 2D Image | (3S,4aR,5aS,8R,9S,10aR,11aS)-8-(Benzyloxy)-9-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-9-methyl-2-methylenedodecahydropyrano[2',3':5,6]pyrano[3,2-b]oxepine | C39H48O7

(3S,4aR,5aS,8R,9S,10aR,11aS)-8-(Benzyloxy)-9-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-9-methyl-2-methylenedodecahydropyrano[2',3':5,6]pyrano[3,2-b]oxepine

  • Molecular FormulaC39H48O7
  • Average mass628.794 Da
  • Monoisotopic mass628.340027 Da
  • ChemSpider ID9574335

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,4aR,5aS,8R,9S,10aR,11aS)-8-(Benzyloxy)-9-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-9-methyl-2-methylendodecahydropyrano[2',3':5,6]pyrano[3,2-b]oxepin [German] [ACD/IUPAC Name]
(3S,4aR,5aS,8R,9S,10aR,11aS)-8-(Benzyloxy)-9-[3-(benzyloxy)propyl]-3-[(4-methoxybenzyl)oxy]-9-methyl-2-methylenedodecahydropyrano[2',3':5,6]pyrano[3,2-b]oxepine [ACD/IUPAC Name]
(3S,4aR,5aS,8R,9S,10aR,11aS)-8-(Benzyloxy)-9-[3-(benzyloxy)propyl]-3-[(4-méthoxybenzyl)oxy]-9-méthyl-2-méthylènedodécahydropyrano[2',3':5,6]pyrano[3,2-b]oxépine [French] [ACD/IUPAC Name]
D-ribo-D-Alladec-15-enitol, 4,9:8,12:11,15-trianhydro-2,3,6,7,10,13,16-heptadeoxy-14-O-[(4-methoxyphenyl)methyl]-4-C-methyl-1,5-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: 714.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 262.6±32.8 °C
Index of Refraction: 1.585
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: 7.49
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 215836.58
ACD/KOC (pH 5.5): 228950.80
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 215836.58
ACD/KOC (pH 7.4): 228950.80
Polar Surface Area: 65 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 533.5±5.0 cm3

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