ChemSpider 2D Image | (2E,10E,12E,16E,18E)-6-Hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaenoic acid | C31H44O6

(2E,10E,12E,16E,18E)-6-Hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaenoic acid

  • Molecular FormulaC31H44O6
  • Average mass512.677 Da
  • Monoisotopic mass512.313782 Da
  • ChemSpider ID4948073

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,10E,12E,16E,18E)-6-Hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,10E,12E,16E,18E)-6-Hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaensäure [German] [ACD/IUPAC Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-6-oxo-2H-pyran-2-yl)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-, (2E,10E,12E,16E,18E)- [ACD/Index Name]
Acide (2E,10E,12E,16E,18E)-6-hydroxy-3,5,7,9,11,15,17-heptaméthyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadécapentaénoïque [French] [ACD/IUPAC Name]
(2E,10E,12E,16E,18E)-6-HYDROXY-3,5,7,9,11,15,17-HEPTAMETHYL-8-OXO-19-(6-OXO-2,3-DIHYDROPYRAN-2-YL)NONADECA-2,10,12,16,18-PENTAENOIC ACID
111278-01-4 [RN]
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-6-oxo-2H-pyran-2-yl)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-
Anguinomycin A
AnguinomycinA

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

Density: 1.1±0.1 g/cm3
Boiling Point: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 225.6±26.4 °C
Index of Refraction: 1.552
Molar Refractivity: 149.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 771.34
ACD/KOC (pH 5.5): 2801.05
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 13.76
ACD/KOC (pH 7.4): 49.97
Polar Surface Area: 101 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

Click to predict properties on the Chemicalize site


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