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Search term: 26615691 (Found by CSID)
ChemSpider 2D Image | Sarmentosumin B | C43H36O8

Sarmentosumin B

  • Molecular FormulaC43H36O8
  • Average mass680.741 Da
  • Monoisotopic mass680.241028 Da
  • ChemSpider ID26615691

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5,7-Dihydroxy-8-(2-hydroxybenzyl)-6-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-2-phenyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-8-(2-hydroxybenzyl)-6-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-2-phenyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-8-(2-hydroxybenzyl)-6-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-2-phényl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-[[2-hydroxy-5-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-8-[(2-hydroxyphenyl)methyl]-2-phenyl-, (2S)- [ACD/Index Name]
Sarmentosumin B
(2S)-5,7-dihydroxy-6-(2'''-hydroxy-5'''-(2''''-hydroxy-5''''-(2'''''-hydroxybenzyl)benzyl)-benzyl)-8-(2''-hydroxybenzyl)flavanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 949.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 295.3±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 193.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 734678.69
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 535117.75
ACD/KOC (pH 7.4): 355364.44
Polar Surface Area: 148 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 496.2±3.0 cm3

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