ChemSpider 2D Image | MFCD01076416 | C30H52O24

MFCD01076416

  • Molecular FormulaC30H52O24
  • Average mass796.719 Da
  • Monoisotopic mass796.284851 Da
  • ChemSpider ID27445376

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)]-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)]-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)]-D-glucopyranose [French] [ACD/IUPAC Name]
72468-43-0 [RN]
Blood Group B pentasaccharide
blood group B-pentasaccharide
B-pentasaccharide
D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)]- [ACD/Index Name]
II2Fuc,I3Fuc-iGbOse3
MFCD01076416
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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): -3.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
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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