ChemSpider 2D Image | (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-16-{(1E)-1-[2-(hydroxymethyl)-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-(hydroxymethyl)-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 ID8068134

  • 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-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxyméthyl)-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-(hydroxymethyl)-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: 694.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.69
ACD/KOC (pH 5.5): 2415.44
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 373.71
ACD/KOC (pH 7.4): 2415.61
Polar Surface Area: 145 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 450.8±3.0 cm3

Click to predict properties on the Chemicalize site


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