ChemSpider 2D Image | 4-(7-{[2-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside | C39H50O24

4-(7-{[2-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID4531429

More details:

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

2-O-(6-Désoxyhexopyranosyl)hexopyranoside de 4-(7-{[2-O-(6-désoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromén-2-yl)-2-hydroxyphényle [French] [ACD/IUPAC Name]
4-(7-{[2-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
4-(7-{[2-O-(6-Desoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl-2-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-2-[4-[[2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-3-hydroxyphenyl]-5-hydroxy- [ACD/Index Name]

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

NSC304427 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1203.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.0±3.0 kJ/mol
Flash Point: 362.4±27.8 °C
Index of Refraction: 1.732
Molar Refractivity: 202.8±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.52
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 118.6±5.0 dyne/cm
Molar Volume: 506.8±5.0 cm3

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