ChemSpider 2D Image | (5R)-5-[(1R)-1,2-Dihydroxyethyl]-beta-D-lyxopyranosyl-(1->3)-[alpha-D-glucopyranosyl-(1->4)]-(6R)-1-deoxy-6-[(1R)-1,2-dihydroxyethyl]-beta-D-tagatopyranose | C21H38O18

(5R)-5-[(1R)-1,2-Dihydroxyethyl]-β-D-lyxopyranosyl-(1->3)-[α-D-glucopyranosyl-(1->4)]-(6R)-1-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-D-tagatopyranose

  • Molecular FormulaC21H38O18
  • Average mass578.516 Da
  • Monoisotopic mass578.205811 Da
  • ChemSpider ID2340454

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(5R)-5-[(1R)-1,2-Dihydroxyethyl]-β-D-lyxopyranosyl-(1->;3)-[α-D-glucopyranosyl-(1->4)]-(6R)-1-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-D-tagatopyranose [ACD/IUPAC Name]
(5R)-5-[(1R)-1,2-Dihydroxyethyl]-β-D-lyxopyranosyl-(1->;3)-[α-D-glucopyranosyl-(1->4)]-(6R)-1-desoxy-6-[(1R)-1,2-dihydroxyethyl]-β-D-tagatopyranose [German] [ACD/IUPAC Name]
(5R)-5-[(1R)-1,2-Dihydroxyéthyl]-β-D-lyxopyranosyl-(1->;3)-[α-D-glucopyranosyl-(1->4)]-(6R)-1-désoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-D-tagatopyranose [French] [ACD/IUPAC Name]
D-glycero-β-D-manno-2-Octulopyranose, O-α-D-glucopyranosyl-(1->4)-O-[D-glycero-β-D-manno-heptopyranosyl-(1->3)]-1-deoxy- [ACD/Index Name]
131289-51-5 [RN]
L-glycero-α-D-manno-Heptopyranoside, methyl O-α-D-glucopyranosyl-(1-3)-O-(L-glycero-α-D-manno-heptopyranosyl-(1-7))-
Methyl-3-O-(α-D-glucopyranosyl)-7-O-(L-glycero-α-D-manno-heptopyranosyl)-L-glycero-α-D-manno-heptopyranoside
MGHPH

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

Density: 1.8±0.1 g/cm3
Boiling Point: 976.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.3±6.0 kJ/mol
Flash Point: 544.3±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 13
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.77
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 121.0±5.0 dyne/cm
Molar Volume: 322.4±5.0 cm3

Click to predict properties on the Chemicalize site


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