ChemSpider 2D Image | (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5-(2-hydroxyethyl)-5,7,9-trimethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]oxacyclohexadec-13-ene-2,6-dione | C27H41NO6S

(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5-(2-hydroxyethyl)-5,7,9-trimethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]oxacyclohexadec-13-ene-2,6-dione

  • Molecular FormulaC27H41NO6S
  • Average mass507.682 Da
  • Monoisotopic mass507.265472 Da
  • ChemSpider ID8566961

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5-(2-hydroxyethyl)-5,7,9-trimethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]oxacyclohexadec-13-en-2,6-dion [German] [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5-(2-hydroxyethyl)-5,7,9-trimethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]oxacyclohexadec-13-ene-2,6-dione [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5-(2-hydroxyéthyl)-5,7,9-triméthyl-16-[(1E)-1-(2-méthyl-1,3-thiazol-4-yl)-1-propén-2-yl]oxacyclohexadéc-13-ène-2,6-dione [French] [ACD/IUPAC Name]
Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5-(2-hydroxyethyl)-5,7,9-trimethyl-16-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (4S,7R,8S,9S,13Z,16S)- [ACD/Index 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: 705.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.3±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 172.01
ACD/KOC (pH 5.5): 1385.72
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 172.21
ACD/KOC (pH 7.4): 1387.30
Polar Surface Area: 145 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 450.4±3.0 cm3

Click to predict properties on the Chemicalize site


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