ChemSpider 2D Image | (2R,3S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-5-hydroxy-8-oxo-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-3-yl (4xi)-6-deoxy-L-lyxo-hexopyranoside | C30H30O13

(2R,3S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-5-hydroxy-8-oxo-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-3-yl (4ξ)-6-deoxy-L-lyxo-hexopyranoside

  • Molecular FormulaC30H30O13
  • Average mass598.551 Da
  • Monoisotopic mass598.168640 Da
  • ChemSpider ID28285540

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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(2R,3S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-5-hydroxy-8-oxo-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-3-yl (4ξ)-6-deoxy-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(2R,3S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-5-hydroxy-8-oxo-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-3-yl-(4ξ)-6-desoxy-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(4ξ)-6-Désoxy-L-lyxo-hexopyranoside de (2R,3S,10R)-2,10-bis(3,4-dihydroxyphényl)-5-hydroxy-8-oxo-3,4,9,10-tétrahydro-2H,8H-pyrano[2,3-f]chromén-3-yle [French] [ACD/IUPAC Name]
2H,8H-Benzo[1,2-b:3,4-b']dipyran-8-one, 3-[[(4ξ)-6-deoxy-L-lyxo-hexopyranosyl]oxy]-2,10-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-5-hydroxy-, (2R,3S,10R)- [ACD/Index Name]
glabraoside A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 864.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 284.6±27.8 °C
Index of Refraction: 1.770
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 117.13
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.17
ACD/KOC (pH 7.4): 111.11
Polar Surface Area: 216 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 113.2±5.0 dyne/cm
Molar Volume: 348.2±5.0 cm3

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