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Search term: SWIQMDRPSXMESL-IAYASBFJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Butylbenzyl 2,3,4,6-tetra-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-alpha-D-mannopyranos ide | C35H56O60S13

4-Butylbenzyl 2,3,4,6-tetra-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-α-D-mannopyranos ide

  • Molecular FormulaC35H56O60S13
  • Average mass1853.628 Da
  • Monoisotopic mass1851.770020 Da
  • ChemSpider ID26375276

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-α-D-mannopyranoside de 4-butyl benzyle [French] [ACD/IUPAC Name]
4-Butylbenzyl 2,3,4,6-tetra-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-α-D-mannopyranos ide [ACD/IUPAC Name]
4-Butylbenzyl-2,3,4,6-tetra-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-α-D-mannopyranos id [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, (4-butylphenyl)methyl O-2,3,4,6-tetra-O-sulfo-α-D-mannopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-α-D-mannopyranosyl-(1->;2) -, 3,4,6-tris(hydrogen sulfate) [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 323.6±0.4 cm3
#H bond acceptors: 60
#H bond donors: 13
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -23.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -23.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 1010 Å2
Polarizability: 128.3±0.5 10-24cm3
Surface Tension: 152.4±5.0 dyne/cm
Molar Volume: 822.3±5.0 cm3

Click to predict properties on the Chemicalize site


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