ChemSpider 2D Image | (2aR,3S,4aS,7aS,10R,10aS,10bS)-10a-[(Benzyloxy)methyl]-10-hydroxy-3-[(4-methoxybenzyl)oxy]octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,8-dione | C29H32O8

(2aR,3S,4aS,7aS,10R,10aS,10bS)-10a-[(Benzyloxy)methyl]-10-hydroxy-3-[(4-methoxybenzyl)oxy]octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,8-dione

  • Molecular FormulaC29H32O8
  • Average mass508.560 Da
  • Monoisotopic mass508.209717 Da
  • ChemSpider ID9213675

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2aR,3S,4aS,7aS,10R,10aS,10bS)-10a-[(Benzyloxy)methyl]-10-hydroxy-3-[(4-methoxybenzyl)oxy]octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,8-dion [German] [ACD/IUPAC Name]
(2aR,3S,4aS,7aS,10R,10aS,10bS)-10a-[(Benzyloxy)methyl]-10-hydroxy-3-[(4-methoxybenzyl)oxy]octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,8-dione [ACD/IUPAC Name]
(2aR,3S,4aS,7aS,10R,10aS,10bS)-10a-[(Benzyloxy)méthyl]-10-hydroxy-3-[(4-méthoxybenzyl)oxy]octahydro-1H-furo[3',4':4,4a]naphto[1,8-bc]furane-5,8-dione [French] [ACD/IUPAC Name]
1H,7H-Naphtho[1,8a-c:4,5-b'c']difuran-5,8-dione, octahydro-10-hydroxy-3-[(4-methoxyphenyl)methoxy]-10a-[(phenylmethoxy)methyl]-, (2aR,3S,4aS,7aS,10R,10aS,10bS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 715.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 237.8±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.66
ACD/KOC (pH 5.5): 594.08
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.66
ACD/KOC (pH 7.4): 594.08
Polar Surface Area: 101 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 376.0±5.0 cm3

Click to predict properties on the Chemicalize site


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