ChemSpider 2D Image | 5,7-Bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside | C33H42O19

5,7-Bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC33H42O19
  • Average mass742.675 Da
  • Monoisotopic mass742.232056 Da
  • ChemSpider ID21229739

More details:

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

250-670-5 [EINECS]
31511-30-5 [RN]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-5,7-bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]- [ACD/Index Name]
5,7-Bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
5,7-Bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl-6-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxyhexopyranosyl)hexopyranoside de 5,7-bis(2-hydroxyéthoxy)-2-[3-hydroxy-4-(2-hydroxyéthoxy)phényl]-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
2-[3-HYDROXY-4-(2-HYDROXYETHOXY)PHENYL]-5,7-BIS(2-HYDROXYETHOXY)-3-[(3,4,5-TRIHYDROXY-6-{[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]METHYL}OXAN-2-YL)OXY]CHROMEN-4-ONE
3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tris(2-hydroxyethyl) ether
Z 12001

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1075.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.1±3.0 kJ/mol
Flash Point: 337.3±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: -1.24
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
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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