ChemSpider 2D Image | 2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl (5xi)-2-O-acetyl-6-deoxy-3-O-[(4xi)-beta-D-xylo-hexopyranosyl]-L-lyxo-hexopyranoside | C29H34O16

2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl (5ξ)-2-O-acetyl-6-deoxy-3-O-[(4ξ)-β-D-xylo-hexopyranosyl]-L-lyxo-hexopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID28283779

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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(5ξ)-2-O-Acétyl-6-désoxy-3-O-[(4ξ)-β-D-xylo-hexopyranosyl]-L-lyxo-hexopyranoside de 2-[(2S)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-4-hydroxyphényle [French] [ACD/IUPAC Name]
2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl (5ξ)-2-O-acetyl-6-deoxy-3-O-[(4ξ)-β-D-xylo-hexopyranosyl]-L-lyxo-hexopyranoside [ACD/IUPAC Name]
2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl-(5ξ)-2-O-acetyl-6-desoxy-3-O-[(4ξ)-β-D-xylo-hexopyranosyl]-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2-[[(5ξ)-2-O-acetyl-6-deoxy-3-O-[(4ξ)-β-D-xylo-hexopyranosyl]-L-lyxo-hexopyranosyl]oxy]-5-hydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 934.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 304.3±27.8 °C
Index of Refraction: 1.694
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.13
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.29
Polar Surface Area: 251 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 99.7±5.0 dyne/cm
Molar Volume: 382.1±5.0 cm3

Click to predict properties on the Chemicalize site


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