Found 1 result

Search term: ROXBIOKRBVVCGL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (3E,7E,15E)-10,17,19,22,23-Pentahydroxy-9-methoxy-3,12,16,17,24,26-hexamethyl-14-methyleneoxacyclohexacosa-3,7,15-triene-2,21-dione | C33H54O9

(3E,7E,15E)-10,17,19,22,23-Pentahydroxy-9-methoxy-3,12,16,17,24,26-hexamethyl-14-methyleneoxacyclohexacosa-3,7,15-triene-2,21-dione

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID24694353
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E,7E,15E)-10,17,19,22,23-Pentahydroxy-9-methoxy-3,12,16,17,24,26-hexamethyl-14-methyleneoxacyclohexacosa-3,7,15-triene-2,21-dione [ACD/IUPAC Name]
(3E,7E,15E)-10,17,19,22,23-Pentahydroxy-9-méthoxy-3,12,16,17,24,26-hexaméthyl-14-méthylèneoxacyclohexacosa-3,7,15-triène-2,21-dione [French] [ACD/IUPAC Name]
(3E,7E,15E)-10,17,19,22,23-Pentahydroxy-9-methoxy-3,12,16,17,24,26-hexamethyl-14-methylenoxacyclohexacosa-3,7,15-trien-2,21-dion [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 770.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.8±6.0 kJ/mol
Flash Point: 235.8±26.4 °C
Index of Refraction: 1.538
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.30
ACD/KOC (pH 5.5): 1946.04
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.30
ACD/KOC (pH 7.4): 1946.02
Polar Surface Area: 154 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 520.7±5.0 cm3

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