ChemSpider 2D Image | KOSN-1724 | C27H39NO6

KOSN-1724

  • Molecular FormulaC27H39NO6
  • Average mass473.602 Da
  • Monoisotopic mass473.277740 Da
  • ChemSpider ID34986490

  • 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,10Z,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-(5-methyl-1,2-oxazol-3-yl)-1-propen-2-yl]oxacyclohexadeca-10,13-dien-2,6-dion [German] [ACD/IUPAC Name]
(4S,7R,8S,9S,10Z,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-(5-methyl-1,2-oxazol-3-yl)-1-propen-2-yl]oxacyclohexadeca-10,13-diene-2,6-dione [ACD/IUPAC Name]
(4S,7R,8S,9S,10Z,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentaméthyl-16-[(1E)-1-(5-méthyl-1,2-oxazol-3-yl)-1-propén-2-yl]oxacyclohexadéca-10,13-diène-2,6-dione [French] [ACD/IUPAC Name]
KOSN-1724
Oxacyclohexadeca-10,13-diene-2,6-dione, 4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(5-methyl-3-isoxazolyl)ethenyl]-, (4S,7R,8S,9S,10Z,13Z,16S)- [ACD/Index Name]
693272-98-9 [RN]
ISO-Fludelone
UNII:6MUO20693U
UNII-6MUO20693U

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.32
ACD/KOC (pH 5.5): 2491.99
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.32
ACD/KOC (pH 7.4): 2491.98
Polar Surface Area: 110 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 439.9±3.0 cm3

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