ChemSpider 2D Image | Cytonic acid B | C32H36O10

Cytonic acid B

  • Molecular FormulaC32H36O10
  • Average mass580.622 Da
  • Monoisotopic mass580.230835 Da
  • ChemSpider ID430459

More details:

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

4-({4-[(2,4-Dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoyl}oxy)-2-hydroxy-6-pentylbenzoesäure [German] [ACD/IUPAC Name]
4-({4-[(2,4-Dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoyl}oxy)-2-hydroxy-6-pentylbenzoic acid [ACD/IUPAC Name]
Acide 4-({4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoyl}oxy)-2-hydroxy-6-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester [ACD/Index Name]
Cytonic acid B
Cytonyc acid B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507904/

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

AIDS115805 [DBID]
AIDS-115805 [DBID]
  • Miscellaneous

    • Chemical Class:

      A benzoate ester obtained by the formal condensation of the carboxy group of 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid with the 4-hydroxy group of 2,4-dihydroxy-6-pentylben zoic acid (olivetolic acid). It is isolated from the endophytic fungi <ital>Cytonaema</ital> and acts as an inhibitor of human cytomegalovirus (hCMV) protease. ChEBI CHEBI:65718
      A benzoate ester obtained by the formal condensation of the carboxy group of 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid with the 4-hydroxy group of 2,4-dihydroxy-6-pentylben zoic acid (olivetolic acid). It is isolated from the endophytic fungi Cytonaema and acts as an inhibitor of human cytomegalovirus (hCMV) protease. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65718, CHEBI:65718

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 246.0±26.4 °C
Index of Refraction: 1.620
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 10.87
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 13086.40
ACD/KOC (pH 5.5): 4179.23
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 1428.20
ACD/KOC (pH 7.4): 456.10
Polar Surface Area: 171 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 443.5±3.0 cm3

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