ChemSpider 2D Image | 4-O-Methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->2)-1,5-anhydro-6-deoxy-1-(hydroxymethyl)hexitol | C27H48O20

4-O-Methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->2)-1,5-anhydro-6-deoxy-1-(hydroxymethyl)hexitol

  • Molecular FormulaC27H48O20
  • Average mass692.658 Da
  • Monoisotopic mass692.273865 Da
  • ChemSpider ID21247658

More details:

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

4-O-Methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->2)-1,5-anhydro-6-deoxy-1-(hydroxymethyl)hexitol [ACD/IUPAC Name]
4-O-Methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->2)-1,5-anhydro-6-desoxy-1-(hydroxymethyl)hexitol [German] [ACD/IUPAC Name]
4-O-Méthylhexopyranosyl-(1->4)-[4-O-méthylhexopyranosyl-(1->6)]hexopyranosyl-(1->2)-1,5-anhydro-6-désoxy-1-(hydroxyméthyl)hexitol [French] [ACD/IUPAC Name]
Heptitol, O--4-O-methylhexopyranosyl-(1->4)-O-[4-O-methylhexopyranosyl-(1->6)]-O-hexopyranosyl-(1->5)-2,6-anhydro-1-deoxy- [ACD/Index 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: 966.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.7±6.0 kJ/mol
Flash Point: 538.6±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.66
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 88.7±5.0 dyne/cm
Molar Volume: 431.1±5.0 cm3

Click to predict properties on the Chemicalize site


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