ChemSpider 2D Image | Parishin B | C32H40O19

Parishin B

  • Molecular FormulaC32H40O19
  • Average mass728.649 Da
  • Monoisotopic mass728.216370 Da
  • ChemSpider ID23551088

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-bis[[4-(β-D-glucopyranosyloxy)phenyl]methyl] ester [ACD/Index Name]
174972-79-3 [RN]
5-{[4-(β-D-Glucopyranosyloxy)benzyl]oxy}-3-({[4-(β-D-glucopyranosyloxy)benzyl]oxy}carbonyl)-3-hydroxy-5-oxopentanoic acid [ACD/IUPAC Name]
5-{[4-(β-D-Glucopyranosyloxy)benzyl]oxy}-3-({[4-(β-D-glucopyranosyloxy)benzyl]oxy}carbonyl)-3-hydroxy-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{[4-(β-D-glucopyranosyloxy)benzyl]oxy}-3-({[4-(β-D-glucopyranosyloxy)benzyl]oxy}carbonyl)-3-hydroxy-5-oxopentanoïque [French] [ACD/IUPAC Name]
Parishin B
?-D-Glucopyranoside, [2-(carboxymethyl)-2-hydroxy-1,4-dioxo-1,4-butanediyl]bis(oxymethylene-4,1-phenylene) bis-
[2-(Carboxymethyl)-2-hydroxy-1,4-dioxo-1,4-butanediyl]bis(oxymethylene-4,1-phenylene) bis-β-D-glu
3-hydroxy-5-oxo-5-((4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl)oxy)-3-(((4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl)oxy)carbonyl)pentanoic acid
MFCD29048568

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1048.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.7±3.0 kJ/mol
Flash Point: 330.0±27.8 °C
Index of Refraction: 1.650
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -4.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 455.3±3.0 cm3

Click to predict properties on the Chemicalize site


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