ChemSpider 2D Image | 3-hexaprenyl-4,5-dihydroxybenzoic acid | C37H54O4

3-hexaprenyl-4,5-dihydroxybenzoic acid

  • Molecular FormulaC37H54O4
  • Average mass562.822 Da
  • Monoisotopic mass562.402222 Da
  • ChemSpider ID4444330
  • Double-bond stereo - Double-bond stereo

More details:

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

3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxybenzoic acid [ACD/IUPAC Name]
3-hexaprenyl-4,5-dihydroxybenzoic acid
Acide 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexaméthyl-2,6,10,14,18,22-tétracosahexaén-1-yl]-4,5-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxy- [ACD/Index Name]
3,4-Dihydroxy-5-hexaprenylbenzoic acid
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid

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

C05200 [DBID]
CHEBI:18081 [DBID]
  • Miscellaneous
    • Chemical Class:

      A dihydroxybenzoic acid where the hydroxy groups are at the 4- and 5-positions together with a hexaprenyl group at the 3-position. ChEBI CHEBI:18081

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

Density: 1.0±0.1 g/cm3
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 392.2±29.4 °C
Index of Refraction: 1.546
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 13.42
ACD/LogD (pH 5.5): 10.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2399307.75
ACD/LogD (pH 7.4): 8.68
ACD/BCF (pH 7.4): 481178.06
ACD/KOC (pH 7.4): 62376.99
Polar Surface Area: 78 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 554.3±3.0 cm3

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