ChemSpider 2D Image | Amurensin E | C70H50O15

Amurensin E

  • Molecular FormulaC70H50O15
  • Average mass1131.137 Da
  • Monoisotopic mass1130.314941 Da
  • ChemSpider ID10230558

  • 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,6R,7S,11bS)-6-(5-{(E)-2-[(2S,3S)-3,6-Bis(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)-2,3-dihydrofuro[3,2-f][1]benzofuran-4-yl]vinyl}-2-hydroxyphenyl)-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydr o-2-oxadibenzo[cd,h]azulen-4,8,10-triol [German] [ACD/IUPAC Name]
(1S,6R,7S,11bS)-6-(5-{(E)-2-[(2S,3S)-3,6-Bis(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)-2,3-dihydrofuro[3,2-f][1]benzofuran-4-yl]vinyl}-2-hydroxyphenyl)-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydr o-2-oxadibenzo[cd,h]azulene-4,8,10-triol [ACD/IUPAC Name]
(1S,6R,7S,11bS)-6-(5-{(E)-2-[(2S,3S)-3,6-Bis(3,5-dihydroxyphényl)-2,5-bis(4-hydroxyphényl)-2,3-dihydrofuro[3,2-f][1]benzofuran-4-yl]vinyl}-2-hydroxyphényl)-1,7-bis(4-hydroxyphényl)-1,6,7,11b-tétrahydr o-2-oxadibenzo[cd,h]azulène-4,8,10-triol [French] [ACD/IUPAC Name]
Amurensin E
Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[5-[(E)-2-[(2S,3S)-3,6-bis(3,5-dihydroxyphenyl)-2,3-dihydro-2,5-bis(4-hydroxyphenyl)benzo[1,2-b:5,4-b']difuran-4-yl]ethenyl]-2-hydroxyphenyl]-1 ,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)-, (1S,6R,7S,11bS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.804
Molar Refractivity: 318.1±0.3 cm3
#H bond acceptors: 15
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 9.73
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2570919.75
ACD/LogD (pH 7.4): 9.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2535464.25
Polar Surface Area: 274 Å2
Polarizability: 126.1±0.5 10-24cm3
Surface Tension: 85.6±3.0 dyne/cm
Molar Volume: 741.7±3.0 cm3

Click to predict properties on the Chemicalize site


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