ChemSpider 2D Image | Phanerosporic acid | C22H36O5

Phanerosporic acid

  • Molecular FormulaC22H36O5
  • Average mass380.518 Da
  • Monoisotopic mass380.256287 Da
  • ChemSpider ID26943797
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

124709-28-0 [RN]
2,4-Dihydroxy-6-[(14R)-14-hydroxypentadecyl]benzoesäure [German] [ACD/IUPAC Name]
2,4-Dihydroxy-6-[(14R)-14-hydroxypentadecyl]benzoic acid [ACD/IUPAC Name]
Acide 2,4-dihydroxy-6-[(14R)-14-hydroxypentadécyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-[(14R)-14-hydroxypentadecyl]- [ACD/Index Name]
Phanerosporic acid
2,4-dihydroxy-6-[(14R)-14-hydroxypentadecyl]-benzoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 302.3±18.0 °C
Index of Refraction: 1.542
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 38.22
ACD/KOC (pH 5.5): 74.64
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 17.75
ACD/KOC (pH 7.4): 34.67
Polar Surface Area: 98 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 344.1±3.0 cm3

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