ChemSpider 2D Image | (4S,7R,8S,9S,13Z,16S)-7-Allyl-4,8-dihydroxy-16-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5,5,9,13-tetramethyloxacyclohexadec-13-ene-2,6-dione | C30H41NO6S

(4S,7R,8S,9S,13Z,16S)-7-Allyl-4,8-dihydroxy-16-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5,5,9,13-tetramethyloxacyclohexadec-13-ene-2,6-dione

  • Molecular FormulaC30H41NO6S
  • Average mass543.715 Da
  • Monoisotopic mass543.265442 Da
  • ChemSpider ID9562104

  • 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)-7-Allyl-4,8-dihydroxy-16-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5,5,9,13-tetramethyloxacyclohexadec-13-en-2,6-dion [German] [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-7-Allyl-4,8-dihydroxy-16-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5,5,9,13-tetramethyloxacyclohexadec-13-ene-2,6-dione [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-7-Allyl-4,8-dihydroxy-16-[2-(hydroxyméthyl)-1,3-benzothiazol-5-yl]-5,5,9,13-tétraméthyloxacyclohexadéc-13-ène-2,6-dione [French] [ACD/IUPAC Name]
Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-16-[2-(hydroxymethyl)-5-benzothiazolyl]-5,5,9,13-tetramethyl-7-(2-propen-1-yl)-, (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: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1317.31
ACD/KOC (pH 5.5): 5952.10
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1317.31
ACD/KOC (pH 7.4): 5952.10
Polar Surface Area: 145 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 475.5±3.0 cm3

Click to predict properties on the Chemicalize site


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