ChemSpider 2D Image | (24E)-28-{[(3S)-4-Carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3,7,11,15-tetraoxolanosta-8,24-dien-26-oic acid | C36H48O11

(24E)-28-{[(3S)-4-Carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3,7,11,15-tetraoxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC36H48O11
  • Average mass656.760 Da
  • Monoisotopic mass656.319641 Da
  • ChemSpider ID59000646

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(24E)-28-{[(3S)-4-Carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3,7,11,15-tetraoxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(24E)-28-{[(3S)-4-Carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3,7,11,15-tetraoxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (24E)-28-{[(3S)-4-carboxy-3-hydroxy-3-méthylbutanoyl]oxy}-3,7,11,15-tétraoxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, mono[(24E)-26-hydroxy-3,7,11,15,26-pentaoxolanosta-8,24-dien-28-yl] ester, (3S)- [ACD/Index Name]
Ganoleucoin L

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

Density: 1.3±0.1 g/cm3
Boiling Point: 846.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.8±6.0 kJ/mol
Flash Point: 261.2±27.8 °C
Index of Refraction: 1.574
Molar Refractivity: 166.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 13.17
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 505.7±5.0 cm3

Click to predict properties on the Chemicalize site


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