ChemSpider 2D Image | (3S,6R,7S,8S,12Z,15S,16E)-7,15-Dihydroxy-3,4,4,6,8,12,16-heptamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-12,16-heptadecadienoic acid | C28H45NO5S

(3S,6R,7S,8S,12Z,15S,16E)-7,15-Dihydroxy-3,4,4,6,8,12,16-heptamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-12,16-heptadecadienoic acid

  • Molecular FormulaC28H45NO5S
  • Average mass507.726 Da
  • Monoisotopic mass507.301849 Da
  • ChemSpider ID107447844

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,6R,7S,8S,12Z,15S,16E)-7,15-Dihydroxy-3,4,4,6,8,12,16-heptamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-12,16-heptadecadienoic acid [ACD/IUPAC Name]
(3S,6R,7S,8S,12Z,15S,16E)-7,15-Dihydroxy-3,4,4,6,8,12,16-heptamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-12,16-heptadecadiensäure [German] [ACD/IUPAC Name]
12,16-Heptadecadienoic acid, 7,15-dihydroxy-3,4,4,6,8,12,16-heptamethyl-17-(2-methyl-4-thiazolyl)-5-oxo-, (3S,6R,7S,8S,12Z,15S,16E)- [ACD/Index Name]
Acide (3S,6R,7S,8S,12Z,15S,16E)-7,15-dihydroxy-3,4,4,6,8,12,16-heptaméthyl-17-(2-méthyl-1,3-thiazol-4-yl)-5-oxo-12,16-heptadécadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 678.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.1±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 331.42
ACD/KOC (pH 5.5): 1170.66
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 18.42
Polar Surface Area: 136 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 457.9±3.0 cm3

Click to predict properties on the Chemicalize site


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