ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl alpha-D-altropyranuronosyl-(1->2)-[(2xi)-6-deoxy-D-xylo-hexopyranosyl-(1->6)]-(4xi)-beta-D-arabino-hexopyranoside | C33H38O20

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl α-D-altropyranuronosyl-(1->2)-[(2ξ)-6-deoxy-D-xylo-hexopyranosyl-(1->6)]-(4ξ)-β-D-arabino-hexopyranoside

  • Molecular FormulaC33H38O20
  • Average mass754.643 Da
  • Monoisotopic mass754.195618 Da
  • ChemSpider ID28287333
  • defined stereocentres - 12 of 15 defined stereocentres


More details:



Featured data source



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

4H-1-Benzopyran-4-one, 7-[[O-α-D-altropyranuronosyl-(1->2)-O-[(2ξ)-6-deoxy-D-xylo-hexopyranosyl-(1->6)]-(4ξ)-β-D-arabino-hexopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl α-D-altropyranuronosyl-(1->2)-[(2ξ)-6-deoxy-D-xylo-hexopyranosyl-(1->6)]-(4ξ)-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-α-D-altropyranuronosyl-(1->2)-[(2ξ)-6-desoxy-D-xylo-hexopyranosyl-(1->6)]-(4ξ)-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
α-D-Altropyranuronosyl-(1->2)-[(2ξ)-6-désoxy-D-xylo-hexopyranosyl-(1->6)]-(4ξ)-β-D-arabino-hexopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
apigenin 7-O-b-D-glucuronopyranosyl-(1®2)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1110.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.1±3.0 kJ/mol
Flash Point: 349.9±27.8 °C
Index of Refraction: 1.737
Molar Refractivity: 169.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 118.1±5.0 dyne/cm
Molar Volume: 420.8±5.0 cm3

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