ChemSpider 2D Image | Limonoate A-ring-lactone | C26H32O9

Limonoate A-ring-lactone

  • Molecular FormulaC26H32O9
  • Average mass488.527 Da
  • Monoisotopic mass488.204620 Da
  • ChemSpider ID30791758

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(S)-3-Furyl(hydroxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylic acid [ACD/IUPAC Name]
Limonoate A-ring-lactone
Spiro[1H,3H-naphtho[1',2':3,4]furo[3,2-c]pyran-9(6H),2'-oxirane]-3'-carboxylic acid, 10-[(S)-3-furanylhydroxymethyl]decahydro-6,6,8a,10-tetramethyl-3,8-dioxo-, (3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)- [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: 630.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.1±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 345.6±5.0 cm3

Click to predict properties on the Chemicalize site


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