ChemSpider 2D Image | Carasinol B | C56H44O13

Carasinol B

  • Molecular FormulaC56H44O13
  • Average mass924.941 Da
  • Monoisotopic mass924.278198 Da
  • ChemSpider ID9484024
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-4-[(2R,3S,4R,5S)-4-(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)tetrahydro-3-furanyl]-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6' -diol [ACD/IUPAC Name]
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-4-[(2R,3S,4R,5S)-4-(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)tetrahydro-3-furanyl]-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6' -diol [German] [ACD/IUPAC Name]
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphényl)-4-[(2R,3S,4R,5S)-4-(3,5-dihydroxyphényl)-2,5-bis(4-hydroxyphényl)tétrahydro-3-furanyl]-2,2'-bis(4-hydroxyphényl)-2,2',3,3'-tétrahydro-3,4'-bi-1-benzofurane-6,6 '-diol [French] [ACD/IUPAC Name]
[3,4'-Bibenzofuran]-6,6'-diol, 3'-(3,5-dihydroxyphenyl)-4-[(2R,3S,4R,5S)-4-(3,5-dihydroxyphenyl)tetrahydro-2,5-bis(4-hydroxyphenyl)-3-furanyl]-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-, (2S,2'R, 3S,3'R)- [ACD/Index Name]
Carasinol B [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 252.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 62783.00
ACD/KOC (pH 5.5): 94533.96
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 62346.86
ACD/KOC (pH 7.4): 93877.26
Polar Surface Area: 230 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 617.8±3.0 cm3

Click to predict properties on the Chemicalize site





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