ChemSpider 2D Image | MFCD01311890 | C30H52O24

MFCD01311890

  • Molecular FormulaC30H52O24
  • Average mass796.719 Da
  • Monoisotopic mass796.284851 Da
  • ChemSpider ID28296121

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

128464-26-6 [RN]
6-Deoxy-α-L-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->3)]-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->3)]-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->4)-[6-désoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->3)]-D-glucopyranose [French] [ACD/IUPAC Name]
BLeb-Pentasaccharide
D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->3)]- [ACD/Index Name]
ISO-B-PENTASACCHARIDE
MFCD01311890
α-Gal-(1->3)-(α-Fuc-[1->2])-β-Gal-(1->3)-(α-Fuc-[1->4])-Glc
iso-b-Pentasaccharide from human urine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1080.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.3±6.0 kJ/mol
Flash Point: 607.1±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 387 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 112.4±5.0 dyne/cm
Molar Volume: 452.0±5.0 cm3

Click to predict properties on the Chemicalize site


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