ChemSpider 2D Image | alpha-D-Glucopyranosyl-(1->4)-(3xi)-alpha-D-ribo-hexopyranosyl-(1->4)-(4xi)-D-xylo-hexitol | C18H34O16

α-D-Glucopyranosyl-(1->4)-(3ξ)-α-D-ribo-hexopyranosyl-(1->4)-(4ξ)-D-xylo-hexitol

  • Molecular FormulaC18H34O16
  • Average mass506.453 Da
  • Monoisotopic mass506.184692 Da
  • ChemSpider ID105451

  • defined stereocentres - 12 of 14 defined stereocentres

More details:

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

D-xylo-Heξtol, O-α-D-glucopyranosyl-(1->4)-O(3ξ)-α-D-ribo-hexopyranosyl-(1->4)-, (4ξ)- [ACD/Index Name]
α-D-Glucopyranosyl-(1->4)-(3ξ)-α-D-ribo-hexopyranosyl-(1->4)-(4ξ)-D-xylo-hexitol [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-(3ξ)-α-D-ribo-hexopyranosyl-(1->4)-(4ξ)-D-xylo-hexitol [German] [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-(3ξ)-α-D-ribo-hexopyranosyl-(1->4)-(4ξ)-D-xylo-hexitol [French] [ACD/IUPAC Name]
(2S,3R,5R)-4-{[(2R,3R,5S,6R)-3,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}HEXANE-1,2,3,5,6-PENTOL
Maltotriitol
O-α-D-Glucopyranosyl-(1.4)-O-α-D-glucopyranosyl-(1.4)-D-glucitol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 970.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.3±6.0 kJ/mol
Flash Point: 540.7±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.20
ACD/LogD (pH 5.5): -5.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 117.7±5.0 dyne/cm
Molar Volume: 288.2±5.0 cm3

Click to predict properties on the Chemicalize site


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