ChemSpider 2D Image | (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-3-hydroxy-5-[(2S,3aS,5R,6aR)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylprop anoate | C29H44O11

(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-3-hydroxy-5-[(2S,3aS,5R,6aR)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylprop anoate

  • Molecular FormulaC29H44O11
  • Average mass568.653 Da
  • Monoisotopic mass568.288391 Da
  • ChemSpider ID8897073

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-3-hydroxy-5-[(2S,3aS,5R,6aR)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylprop anoate [ACD/IUPAC Name]
(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-3-hydroxy-5-[(2S,3aS,5R,6aR)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl-2-methylprop anoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-acétoxy-8a-(acétoxyméthyl)-3-hydroxy-5-[(2S,3aS,5R,6aR)-5-méthoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-diméthyloctahydro-2H-spiro[naphthalene-1,2'-oxi ran]-2-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aS,5R,6aR)-hexahydro-5-methoxyfuro[2,3-b]furan-2-yl]octahydro-3-hydroxy-5,6-dimethylspiro[naphthalen e-1(2H),2'-oxiran]-2-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 192.2±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.05
ACD/KOC (pH 5.5): 218.89
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.05
ACD/KOC (pH 7.4): 218.89
Polar Surface Area: 139 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 446.1±5.0 cm3

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