ChemSpider 2D Image | Lacto-N-difucohexaose II | C38H65NO29

Lacto-N-difucohexaose II

  • Molecular FormulaC38H65NO29
  • Average mass999.912 Da
  • Monoisotopic mass999.364197 Da
  • ChemSpider ID26332745

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

62258-12-2 [RN]
6-Deoxy-α-L-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-D-glu copyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(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->4)-[β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-D- glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->4)-O-[β-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D -galactopyranosyl-(1->4)]- [ACD/Index Name]
Lacto-N-difucohexaose II
β-D-Galp-(1->3)-[α-L-Fucp-(1->4)]-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-[α-L-Fucp-(1->3)]-D-Glcp
(Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2
?-D-Gal-(1?3)-[?-L-Fuc-(1?4)]-?-D-GlcNAc-(1?3)-?-D-Gal-(1?4)-[?-L-Fuc-(1?3)]-D-Glc
51778-29-1 [RN]
More...

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

1340391 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1277.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.5±6.0 kJ/mol
Flash Point: 726.7±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 214.1±0.4 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 475 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 110.6±5.0 dyne/cm
Molar Volume: 573.8±5.0 cm3

Click to predict properties on the Chemicalize site


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