ChemSpider 2D Image | (3E,5E,7R,8S,9R,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8,10-dihydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one | C35H56O9

(3E,5E,7R,8S,9R,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8,10-dihydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one

  • Molecular FormulaC35H56O9
  • Average mass620.814 Da
  • Monoisotopic mass620.392456 Da
  • ChemSpider ID28288563

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3E,5E,7R,8S,9R,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8,10-dihydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7R,8S,9R,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8,10-dihydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one [ACD/IUPAC Name]
(3E,5E,7R,8S,9R,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-triméthyl-5-oxo-6-undécén-2-yl]-8,10-dihydroxy-3,15-diméthoxy-5,7,9,11-tétraméthyloxacyclohexadéca-3,5,11,13-tétraén-2-one [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 16-[(1S,2R,3S,5E,7S,8R)-2,8-dihydroxy-1,3,7,9-tetramethyl-4-oxo-5-decen-1-yl]-8,10-dihydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3E,5E,7R,8S,9R,11E,13E,15S ,16R)- [ACD/Index Name]
hydroxybafilomycin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 784.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.0±6.0 kJ/mol
Flash Point: 236.9±26.4 °C
Index of Refraction: 1.533
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 266.55
ACD/KOC (pH 5.5): 1896.61
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 266.55
ACD/KOC (pH 7.4): 1896.61
Polar Surface Area: 143 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 554.9±5.0 cm3

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