ChemSpider 2D Image | Pectate | C18H26O19

Pectate

  • Molecular FormulaC18H26O19
  • Average mass546.388 Da
  • Monoisotopic mass546.106812 Da
  • ChemSpider ID388376
  • defined stereocentres - 13 of 15 defined stereocentres


More details:






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

Acide D-galactopyranuronosyl-(1->4)-D-galactopyranuronosyl-(1->4)-α-D-galactopyranuronique [French] [ACD/IUPAC Name]
D-Galactopyranuronosyl-(1->4)-D-galactopyranuronosyl-(1->4)-α-D-galactopyranuronic acid [ACD/IUPAC Name]
D-Galactopyranuronosyl-(1->4)-D-galactopyranuronosyl-(1->4)-α-D-galactopyranuronsäure [German] [ACD/IUPAC Name]
Pectate [Wiki]
Pectic acid
poly(1,4-α-D-galacturonate)
α-D-Galactopyranuronic acid, O-D-galactopyranuronosyl-(1->4)-O-D-galactopyranuronosyl-(1->;4)- [ACD/Index Name]
α-D-polygalacturonic acid

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

C00470 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1021.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.0±6.0 kJ/mol
Flash Point: 350.6±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -8.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 146.7±5.0 dyne/cm
Molar Volume: 269.0±5.0 cm3

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