ChemSpider 2D Image | 4'-O-(?-hydroxyethyl)rutoside | C29H34O17

4'-O-(?-hydroxyethyl)rutoside

  • Molecular FormulaC29H34O17
  • Average mass654.570 Da
  • Monoisotopic mass654.179626 Da
  • ChemSpider ID32697781

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

13190-92-6 [RN]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]- [ACD/Index Name]
4'-O-(?-hydroxyethyl)rutoside
5,7-Dihydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5,7-dihydroxy-2-[3-hydroxy-4-(2-hydroxyéthoxy)phényl]-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
,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

5916I19RLP [DBID]
91950_FLUKA [DBID]
UNII:5916I19RLP [DBID]
UNII-5916I19RLP [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: 1003.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.5±3.0 kJ/mol
Flash Point: 326.0±27.8 °C
Index of Refraction: 1.734
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.19
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 275 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 114.9±5.0 dyne/cm
Molar Volume: 372.1±5.0 cm3

Click to predict properties on the Chemicalize site


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