ChemSpider 2D Image | blepharocalyxin C | C38H42O7

blepharocalyxin C

  • Molecular FormulaC38H42O7
  • Average mass610.736 Da
  • Monoisotopic mass610.293030 Da
  • ChemSpider ID9976542

  • 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

(1S,5S)-1,5-Anhydro-2,4-dideoxy-4-[(1E,3S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-1-hepten-3-yl]-5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-D-erythro-pentitol [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-2,4-didesoxy-4-[(1E,3S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-1-hepten-3-yl]-5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-2,4-didésoxy-4-[(1E,3S,5S)-5-hydroxy-1,7-bis(4-hydroxyphényl)-1-heptén-3-yl]-5-(4-hydroxyphényl)-1-[2-(4-hydroxyphényl)éthyl]-D-érythro-pentitol [French] [ACD/IUPAC Name]
blepharocalyxin C
D-erythro-Pentitol, 1,5-anhydro-2,4-dideoxy-4-[(1S,3S)-3-hydroxy-5-(4-hydroxyphenyl)-1-[(E)-2-(4-hydroxyphenyl)ethenyl]pentyl]-5-C-(4-hydroxyphenyl)-1-C-[2-(4-hydroxyphenyl)ethyl]-, (1S,5S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 872.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.7±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 176.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5188.84
ACD/KOC (pH 5.5): 15879.06
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5139.81
ACD/KOC (pH 7.4): 15729.01
Polar Surface Area: 131 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 479.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement