ChemSpider 2D Image | (4R,5R,6R,7R)-8-{[6-Deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy}-4,5,6,7-tetrahydroxy-2-oxooctanoic acid | C20H34O16

(4R,5R,6R,7R)-8-{[6-Deoxy-3-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy}-4,5,6,7-tetrahydroxy-2-oxooctanoic acid

  • Molecular FormulaC20H34O16
  • Average mass530.474 Da
  • Monoisotopic mass530.184692 Da
  • ChemSpider ID169066

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(4R,5R,6R,7R)-8-{[6-Deoxy-3-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy}-4,5,6,7-tetrahydroxy-2-oxooctanoic acid [ACD/IUPAC Name]
(4R,5R,6R,7R)-8-{[6-Desoxy-3-O-(6-desoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy}-4,5,6,7-tetrahydroxy-2-oxooctansäure [German] [ACD/IUPAC Name]
Acide (4R,5R,6R,7R)-8-{[6-désoxy-3-O-(6-désoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy}-4,5,6,7-tétrahydroxy-2-oxooctanoïque [French] [ACD/IUPAC Name]
D-manno-2-Octulosonic acid, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->8)-3-deoxy- [ACD/Index Name]
111070-81-6 [RN]
3-Deoxy-8-O-(3-O-rhamnopyranosyl-rhamnopyranosyl)-manno-octulosonate
DRRMO
Rhamnosyl-rhamnosyl-3-deoxymannooctulosonic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 901.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.7±6.0 kJ/mol
Flash Point: 305.6±27.8 °C
Index of Refraction: 1.624
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -6.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 98.2±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

Click to predict properties on the Chemicalize site


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