ChemSpider 2D Image | bound formratjadone a | C28H44O6

bound formratjadone a

  • Molecular FormulaC28H44O6
  • Average mass476.645 Da
  • Monoisotopic mass476.313782 Da
  • ChemSpider ID35034314

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,5R)-1,5-Anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethyl-2,4,8,10-pentadecatetraen-1-yl]-2,4-dideoxy-2-methyl-1-[(1E)-1-propen-1-yl]-D-threo-pentitol [ACD/IUPAC Name]
(1S,5R)-1,5-Anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethyl-2,4,8,10-pentadecatetraen-1-yl]-2,4-didesoxy-2-methyl-1-[(1E)-1-propen-1-yl]-D-threo-pentitol [German] [ACD/IUPAC Name]
(1S,5R)-1,5-Anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-triméthyl-2,4,8,10-pentadécatétraén-1-yl]-2,4-didésoxy-2-méthyl-1-[(1E)-1-propén-1-yl]-D-thréo-pentitol [French] [ACD/IUPAC Name]
bound formratjadone a
D-threo-Pentitol, 1,5-anhydro-5-C-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethyl-2,4,8,10-pentadecatetraen-1-yl]-2,4-dideoxy-2-methyl-1-C-[(1E)-1-propen-1-yl]-, (1S,5R)- [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: 663.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 211.6±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 122.23
ACD/KOC (pH 5.5): 604.58
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 9.54
Polar Surface Area: 107 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 431.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement