ChemSpider 2D Image | 6-O-Phosphono-beta-L-glucopyranosyl-(1->3)-beta-L-glucopyranosyl-(1->3)-beta-L-glucopyranose | C18H33O19P

6-O-Phosphono-β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->3)-β-L-glucopyranose

  • Molecular FormulaC18H33O19P
  • Average mass584.417 Da
  • Monoisotopic mass584.135376 Da
  • ChemSpider ID26329812

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

6-O-Phosphono-β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->3)-β-L-glucopyranose [German] [ACD/IUPAC Name]
6-O-Phosphono-β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->3)-β-L-glucopyranose [ACD/IUPAC Name]
6-O-Phosphono-β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->3)-β-L-glucopyranose [French] [ACD/IUPAC Name]
β-L-Glucopyranose, O-6-O-phosphono-β-L-glucopyranosyl-(1->3)-O-β-L-glucopyranosyl-(1->3)- [ACD/Index Name]
{[(2S,3R,4R,5S,6R)-6-{[(2S,3S,4R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}phosphonic acid

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

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

Density: 1.9±0.1 g/cm3
Boiling Point: 997.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.8±6.0 kJ/mol
Flash Point: 556.8±37.1 °C
Index of Refraction: 1.669
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.17
ACD/LogD (pH 5.5): -7.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 126.2±5.0 dyne/cm
Molar Volume: 307.2±5.0 cm3

Click to predict properties on the Chemicalize site


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