ChemSpider 2D Image | callophycoic acid F | C27H36O3

callophycoic acid F

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID23076458

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Benzoxepin-7-carboxylic acid, 2,5-dihydro-3-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]- [ACD/Index Name]
3-[(3E,7E)-4,8,12-Trimethyl-3,7,11-tridecatrien-1-yl]-2,5-dihydro-1-benzoxepin-7-carbonsäure [German] [ACD/IUPAC Name]
3-[(3E,7E)-4,8,12-Trimethyl-3,7,11-tridecatrien-1-yl]-2,5-dihydro-1-benzoxepine-7-carboxylic acid [ACD/IUPAC Name]
Acide 3-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-2,5-dihydro-1-benzoxépine-7-carboxylique [French] [ACD/IUPAC Name]
callophycoic acid F
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5-dihydro-1-benzoxepine-7-carboxylic acid
  • Miscellaneous

    • Chemical Class:

      An organic heterobicyclic compound that is 2,5-dihydro-1-benzoxepine-7-carboxylic acid substituted by a (3<stereo>E</stereo>,7<stereo>E</stereo>)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at pos ition 3. It is isolated from the Fijian red alga <ital>Callophycus serratus</ital> and exhibits antibacterial, antimalarial and anticancer activities. ChEBI CHEBI:65562
      An organic heterobicyclic compound that is 2,5-dihydro-1-benzoxepine-7-carboxylic acid substituted by a (3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at pos; ition 3. It is isolated from the Fijian red alga Callophycus serratus and exhibits antibacterial, antimalarial and anticancer activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65562
      An organic heterobicyclic compound that is 2,5-dihydro-1-benzoxepine-7-carboxylic acid substituted by a (3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at position 3. It is isolated from the F ijian red alga Callophycus serratus and exhibits antibacterial, antimalarial and anticancer activities. ChEBI CHEBI:65562

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

Density: 1.0±0.1 g/cm3
Boiling Point: 558.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 180.1±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 9.74
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 186493.92
ACD/KOC (pH 5.5): 103317.18
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 4050.65
ACD/KOC (pH 7.4): 2244.05
Polar Surface Area: 47 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 397.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement