ChemSpider 2D Image | [(1R,2R,3S,4R,5R)-5-({2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-3,4-dihydro-2H-chromen-3-yl}oxy)-2,3,4-trihydroxycyclohexyl]methyl 6-deoxy-alpha-L-gulopyranoside | C34H46O18

[(1R,2R,3S,4R,5R)-5-({2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-3,4-dihydro-2H-chromen-3-yl}oxy)-2,3,4-trihydroxycyclohexyl]methyl 6-deoxy-α-L-gulopyranoside

  • Molecular FormulaC34H46O18
  • Average mass742.718 Da
  • Monoisotopic mass742.268433 Da
  • ChemSpider ID8050975

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

[(1R,2R,3S,4R,5R)-5-({2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-3,4-dihydro-2H-chromen-3-yl}oxy)-2,3,4-trihydroxycyclohexyl]methyl 6-deoxy-α-L-gulopyranoside [ACD/IUPAC Name]
[(1R,2R,3S,4R,5R)-5-({2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-3,4-dihydro-2H-chromen-3-yl}oxy)-2,3,4-trihydroxycyclohexyl]methyl-6-desoxy-α-L-gulopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[(1R,2R,3S,4R,5R)-5-[[(6-deoxy-α-L-gulopyranosyl)oxy]methyl]-2,3,4-trihydroxycyclohexyl]oxy]-2,3-dihydro-5-hydroxy-7-(2-hydroxyethoxy)- [ACD/Index Name]
6-Désoxy-α-L-gulopyranoside de [(1R,2R,3S,4R,5R)-5-({2-[3,4-bis(2-hydroxyéthoxy)phényl]-5-hydroxy-7-(2-hydroxyéthoxy)-4-oxo-3,4-dihydro-2H-chromén-3-yl}oxy)-2,3,4-trihydroxycyclohexyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1000.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.9±3.0 kJ/mol
Flash Point: 311.3±27.8 °C
Index of Refraction: 1.672
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.21
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 284 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 94.8±5.0 dyne/cm
Molar Volume: 466.2±5.0 cm3

Click to predict properties on the Chemicalize site


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