ChemSpider 2D Image | limonoic acid | C26H34O10

limonoic acid

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID388622
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1S,3'S,3aR,5aR,6R,7S,9aR,9bR)-1-(Carboxymethyl)-7-[(S)-3-furyl(hydroxy)methyl]-9b-(hydroxymethyl)-3,3,5a,7-tetramethyl-5-oxodecahydro-3H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid [ACD/IUPAC Name]
limonoic acid
Spiro[naphtho[1,2-c]furan-6(3H),2'-oxirane]-1-acetic acid, 3'-carboxy-7-[(S)-3-furanylhydroxymethyl]decahydro-9b-(hydroxymethyl)-3,3,5a,7-tetramethyl-5-oxo-, (1S,3'S,3aR,5aR,6R,7S,9aR,9bR)- [ACD/Index Name]
Limonoate

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

C01593 [DBID]
CHEBI:16419 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 648.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 352.9±5.0 cm3

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