ChemSpider 2D Image | Tetragalacturonic acid hydroxymethylester | C28H42O29

Tetragalacturonic acid hydroxymethylester

  • Molecular FormulaC28H42O29
  • Average mass842.616 Da
  • Monoisotopic mass842.181152 Da
  • ChemSpider ID32698706
  • defined stereocentres - 20 of 20 defined stereocentres


More details:






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

53008-15-4 [RN]
6-(Hydroxyméthyl)-α-D-galactopyranuronosyl-(1->4)-6-(hydroxyméthyl)-α-D-galactopyranuronosyl-(1->4)-6-(hydroxyméthyl)-α-D-galactopyranuronosyl-(1->4)-α-D-galactopyranuronate d'hydroxym éthyle [French] [ACD/IUPAC Name]
Hydroxymethyl 6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-α-D-galactopyranuron ate [ACD/IUPAC Name]
Hydroxymethyl-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-α-D-galactopyranuron at [German] [ACD/IUPAC Name]
Tetragalacturonic acid hydroxymethylester [Wiki]
α-D-Galactopyranuronic acid, O-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-O-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->4)-O-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1->;4) -, hydroxymethyl ester [ACD/Index Name]

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

94C20R1E96 [DBID]
UNII:94C20R1E96 [DBID]
UNII-94C20R1E96 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 1122.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.7±6.0 kJ/mol
Flash Point: 349.4±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 29
#H bond donors: 14
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 453 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 129.9±5.0 dyne/cm
Molar Volume: 437.1±5.0 cm3

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