ChemSpider 2D Image | (4S,7R,8S,9S,16S)-16-[(2S)-1,2-Dihydroxy-1-(2-methyl-1,3-thiazol-4-yl)-2-propanyl]-4,8,13,14-tetrahydroxy-5,5,7,9-tetramethyloxacyclohexadecane-2,6-dione | C26H43NO9S

(4S,7R,8S,9S,16S)-16-[(2S)-1,2-Dihydroxy-1-(2-methyl-1,3-thiazol-4-yl)-2-propanyl]-4,8,13,14-tetrahydroxy-5,5,7,9-tetramethyloxacyclohexadecane-2,6-dione

  • Molecular FormulaC26H43NO9S
  • Average mass545.686 Da
  • Monoisotopic mass545.265869 Da
  • ChemSpider ID9975382

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(4S,7R,8S,9S,16S)-16-[(2S)-1,2-Dihydroxy-1-(2-methyl-1,3-thiazol-4-yl)-2-propanyl]-4,8,13,14-tetrahydroxy-5,5,7,9-tetramethyloxacyclohexadecan-2,6-dion [German] [ACD/IUPAC Name]
(4S,7R,8S,9S,16S)-16-[(2S)-1,2-Dihydroxy-1-(2-methyl-1,3-thiazol-4-yl)-2-propanyl]-4,8,13,14-tetrahydroxy-5,5,7,9-tetramethyloxacyclohexadecane-2,6-dione [ACD/IUPAC Name]
(4S,7R,8S,9S,16S)-16-[(2S)-1,2-Dihydroxy-1-(2-méthyl-1,3-thiazol-4-yl)-2-propanyl]-4,8,13,14-tétrahydroxy-5,5,7,9-tétraméthyloxacyclohexadécane-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 770.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 419.8±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.34
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.35
Polar Surface Area: 206 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 439.4±3.0 cm3

Click to predict properties on the Chemicalize site


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