ChemSpider 2D Image | Methyl (1R,2R,3S,3aR,8bS)-6-acetyl-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate | C29H28O8

Methyl (1R,2R,3S,3aR,8bS)-6-acetyl-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate

  • Molecular FormulaC29H28O8
  • Average mass504.528 Da
  • Monoisotopic mass504.178406 Da
  • ChemSpider ID28642933

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3S,3aR,8bS)-6-Acétyl-1,8b-dihydroxy-8-méthoxy-3a-(4-méthoxyphényl)-3-phényl-2,3,3a,8b-tétrahydro-1H-benzo[b]cyclopenta[d]furane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Benzo[b]cyclopenta[d]furan-2-carboxylic acid, 6-acetyl-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1R,2R,3S,3aR,8bS)- [ACD/Index Name]
Methyl (1R,2R,3S,3aR,8bS)-6-acetyl-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,3S,3aR,8bS)-6-acetyl-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylat [German] [ACD/IUPAC Name]
1402931-74-1 [RN]
eIF4A3-IN-16

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 214.1±25.0 °C
Index of Refraction: 1.635
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 549.69
ACD/KOC (pH 5.5): 3184.03
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 549.65
ACD/KOC (pH 7.4): 3183.84
Polar Surface Area: 112 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 372.8±3.0 cm3

Click to predict properties on the Chemicalize site


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