ChemSpider 2D Image | (4R,6S,8R,11R,13R,14R)-14-[(R)-(3,5-Dihydroxyphenyl)(hydroxy)methyl]-11,13-dihydroxy-4,6,8,16-tetramethyl-3-heptadecanone | C28H48O6

(4R,6S,8R,11R,13R,14R)-14-[(R)-(3,5-Dihydroxyphenyl)(hydroxy)methyl]-11,13-dihydroxy-4,6,8,16-tetramethyl-3-heptadecanone

  • Molecular FormulaC28H48O6
  • Average mass480.677 Da
  • Monoisotopic mass480.345093 Da
  • ChemSpider ID32674678

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R,6S,8R,11R,13R,14R)-14-[(R)-(3,5-Dihydroxyphenyl)(hydroxy)methyl]-11,13-dihydroxy-4,6,8,16-tetramethyl-3-heptadecanon [German] [ACD/IUPAC Name]
(4R,6S,8R,11R,13R,14R)-14-[(R)-(3,5-Dihydroxyphenyl)(hydroxy)methyl]-11,13-dihydroxy-4,6,8,16-tetramethyl-3-heptadecanone [ACD/IUPAC Name]
(4R,6S,8R,11R,13R,14R)-14-[(R)-(3,5-Dihydroxyphényl)(hydroxy)méthyl]-11,13-dihydroxy-4,6,8,16-tétraméthyl-3-heptadécanone [French] [ACD/IUPAC Name]
3-Heptadecanone, 14-[(R)-(3,5-dihydroxyphenyl)hydroxymethyl]-11,13-dihydroxy-4,6,8,16-tetramethyl-, (4R,6S,8R,11R,13R,14R)- [ACD/Index Name]
baulamycin A
E'baulamycin A'

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

Density: 1.1±0.1 g/cm3
Boiling Point: 663.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 368.9±28.0 °C
Index of Refraction: 1.530
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 701.19
ACD/KOC (pH 5.5): 3789.92
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 691.88
ACD/KOC (pH 7.4): 3739.58
Polar Surface Area: 118 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 442.3±3.0 cm3

Click to predict properties on the Chemicalize site


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