ChemSpider 2D Image | 3',4',5-tri-O-(?-hydroxyethyl)rutoside | C33H42O19

3',4',5-tri-O-(?-hydroxyethyl)rutoside

  • Molecular FormulaC33H42O19
  • Average mass742.675 Da
  • Monoisotopic mass742.232056 Da
  • ChemSpider ID32700275

  • 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]-7-hydroxy-5-(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]-7-hydroxy-5-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3',4',5-tri-O-(?-hydroxyethyl)rutoside
4H-1-Benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-hydroxy-5-(2-hydroxyethoxy)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-[3,4-bis(2-hydroxyéthoxy)phényl]-7-hydroxy-5-(2-hydroxyéthoxy)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
862126-97-4 [RN]
,4′
,7-Tris[O-(2-hydroxyethyl)]rutin
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
3′
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1UXN92YF25 [DBID]
91950_FLUKA [DBID]
UNII:1UXN92YF25 [DBID]
UNII-1UXN92YF25 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1076.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.3±3.0 kJ/mol
Flash Point: 337.7±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 171.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 293 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 100.8±5.0 dyne/cm
Molar Volume: 447.9±5.0 cm3

Click to predict properties on the Chemicalize site


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