ChemSpider 2D Image | (1R,2S,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-5-[(2S,5S)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate | C30H46O10

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

  • Molecular FormulaC30H46O10
  • Average mass566.680 Da
  • Monoisotopic mass566.309082 Da
  • ChemSpider ID8992121

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(1R,2S,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-5-[(2S,5S)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate [ACD/IUPAC Name]
(1R,2S,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-5-[(2S,5S)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (1R,2S,4aR,5S,6R,8S,8aR)-8-acétoxy-8a-(acétoxyméthyl)-5-[(2S,5S)-5-méthoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-diméthyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,5S)-hexahydro-5-methoxyfuro[2,3-b]furan-2-yl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-2-y l ester [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: 600.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 249.6±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.13
ACD/KOC (pH 5.5): 1369.52
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.13
ACD/KOC (pH 7.4): 1369.52
Polar Surface Area: 119 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 464.3±5.0 cm3

Click to predict properties on the Chemicalize site


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