ChemSpider 2D Image | (4E,8E)-3,7-Dihydroxy-11-(beta-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16-octamethyl-4,8-octadecadienoic acid | C32H58O10

(4E,8E)-3,7-Dihydroxy-11-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16-octamethyl-4,8-octadecadienoic acid

  • Molecular FormulaC32H58O10
  • Average mass602.797 Da
  • Monoisotopic mass602.403015 Da
  • ChemSpider ID78445529

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 14 defined stereocentres

More details:

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

(4E,8E)-3,7-Dihydroxy-11-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16-octamethyl-4,8-octadecadienoic acid [ACD/IUPAC Name]
(4E,8E)-3,7-Dihydroxy-11-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16-octamethyl-4,8-octadecadiensäure [German] [ACD/IUPAC Name]
4,8-Octadecadienoic acid, 3,7-dihydroxy-11-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16-octamethyl-, (4E,8E)- [ACD/Index Name]
Acide (4E,8E)-3,7-dihydroxy-11-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16-octaméthyl-4,8-octadécadiénoïque [French] [ACD/IUPAC Name]
Bionectriol 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: 778.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 238.1±26.4 °C
Index of Refraction: 1.537
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 16.52
ACD/KOC (pH 5.5): 115.13
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 177 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 517.1±5.0 cm3

Click to predict properties on the Chemicalize site


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