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

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

  • Molecular FormulaC27H41NO6S
  • Average mass507.682 Da
  • Monoisotopic mass507.265472 Da
  • ChemSpider ID8024841

  • 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

(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-16-[(1E)-1-(2-methoxy-1,3-thiazol-4-yl)-1-propen-2-yl]-5,5,7,9,13-pentamethyloxacyclohexadec-13-en-2,6-dion [German] [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-16-[(1E)-1-(2-methoxy-1,3-thiazol-4-yl)-1-propen-2-yl]-5,5,7,9,13-pentamethyloxacyclohexadec-13-ene-2,6-dione [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-16-[(1E)-1-(2-méthoxy-1,3-thiazol-4-yl)-1-propén-2-yl]-5,5,7,9,13-pentaméthyloxacyclohexadéc-13-ène-2,6-dione [French] [ACD/IUPAC Name]
Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-16-[(E)-2-(2-methoxy-4-thiazolyl)-1-methylethenyl]-5,5,7,9,13-pentamethyl-, (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: 673.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.3±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1506.28
ACD/KOC (pH 5.5): 6550.18
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1507.37
ACD/KOC (pH 7.4): 6554.92
Polar Surface Area: 134 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 461.0±3.0 cm3

Click to predict properties on the Chemicalize site


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