ChemSpider 2D Image | (3R,4E,6E,8E,10R,11S,12R,14R,15R)-3,11,15-Trihydroxy-10,12,14-trimethyl-17-[4-(methylamino)phenyl]-17-oxo-4,6,8-heptadecatrienoic acid | C27H39NO6

(3R,4E,6E,8E,10R,11S,12R,14R,15R)-3,11,15-Trihydroxy-10,12,14-trimethyl-17-[4-(methylamino)phenyl]-17-oxo-4,6,8-heptadecatrienoic acid

  • Molecular FormulaC27H39NO6
  • Average mass473.602 Da
  • Monoisotopic mass473.277740 Da
  • ChemSpider ID58196544

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,4E,6E,8E,10R,11S,12R,14R,15R)-3,11,15-Trihydroxy-10,12,14-trimethyl-17-[4-(methylamino)phenyl]-17-oxo-4,6,8-heptadecatrienoic acid [ACD/IUPAC Name]
(3R,4E,6E,8E,10R,11S,12R,14R,15R)-3,11,15-Trihydroxy-10,12,14-trimethyl-17-[4-(methylamino)phenyl]-17-oxo-4,6,8-heptadecatriensäure [German] [ACD/IUPAC Name]
4,6,8-Heptadecatrienoic acid, 3,11,15-trihydroxy-10,12,14-trimethyl-17-[4-(methylamino)phenyl]-17-oxo-, (3R,4E,6E,8E,10R,11S,12R,14R,15R)- [ACD/Index Name]
Acide (3R,4E,6E,8E,10R,11S,12R,14R,15R)-3,11,15-trihydroxy-10,12,14-triméthyl-17-[4-(méthylamino)phényl]-17-oxo-4,6,8-heptadécatriénoïque [French] [ACD/IUPAC Name]
Mohangic acid B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.1±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 25.06
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 407.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement