ChemSpider 2D Image | 3-[(2E,6E,10S,11R,15Z)-17-Carboxy-10,11-dihydroxy-3,7,11,15-tetramethyl-2,6,15-heptadecatrien-1-yl]-4-hydroxybenzoic acid | C29H42O7

3-[(2E,6E,10S,11R,15Z)-17-Carboxy-10,11-dihydroxy-3,7,11,15-tetramethyl-2,6,15-heptadecatrien-1-yl]-4-hydroxybenzoic acid

  • Molecular FormulaC29H42O7
  • Average mass502.640 Da
  • Monoisotopic mass502.293060 Da
  • ChemSpider ID29214670

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(2E,6E,10S,11R,15Z)-17-Carboxy-10,11-dihydroxy-3,7,11,15-tetramethyl-2,6,15-heptadecatrien-1-yl]-4-hydroxybenzoesäure [German] [ACD/IUPAC Name]
3-[(2E,6E,10S,11R,15Z)-17-Carboxy-10,11-dihydroxy-3,7,11,15-tetramethyl-2,6,15-heptadecatrien-1-yl]-4-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-[(2E,6E,10S,11R,15Z)-17-carboxy-10,11-dihydroxy-3,7,11,15-tétraméthyl-2,6,15-heptadécatrién-1-yl]-4-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2E,6E,10S,11R,15Z)-17-carboxy-10,11-dihydroxy-3,7,11,15-tetramethyl-2,6,15-heptadecatrien-1-yl]-4-hydroxy- [ACD/Index Name]
erythrolic acid A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 728.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 408.2±29.4 °C
Index of Refraction: 1.566
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 65.15
ACD/KOC (pH 5.5): 162.45
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

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