ChemSpider 2D Image | tetra-O-(?-hydroxyethyl)rutoside | C35H46O20

tetra-O-(?-hydroxyethyl)rutoside

  • Molecular FormulaC35H46O20
  • Average mass786.728 Da
  • Monoisotopic mass786.258240 Da
  • ChemSpider ID145097

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-bis(2-hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5,7-bis(2-hydroxyethoxy)-
4H-1-Benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-bis(2-hydroxyethoxy)- [ACD/Index Name]
6980-20-7 [RN]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-[3,4-bis(2-hydroxyéthoxy)phényl]-5,7-bis(2-hydroxyéthoxy)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
tetra-O-(?-hydroxyethyl)rutoside
,4′
,7-Tris[O-(2-hydroxyethyl)]rutin
108027-08-3 [RN]
More...

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

BI56472C70 [DBID]
91950_FLUKA [DBID]
UNII:BI56472C70 [DBID]
UNII-BI56472C70 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1090.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.7±3.0 kJ/mol
Flash Point: 336.7±27.8 °C
Index of Refraction: 1.673
Molar Refractivity: 182.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 302 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 95.8±5.0 dyne/cm
Molar Volume: 485.8±5.0 cm3

Click to predict properties on the Chemicalize site


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