ChemSpider 2D Image | LND I | C38H65NO29

LND I

  • Molecular FormulaC38H65NO29
  • Average mass999.912 Da
  • Monoisotopic mass999.364197 Da
  • ChemSpider ID26332203

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->2)-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->4)-[6-désoxy-α-L-galactopyranosyl-(1->2)-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->4)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
IV2Fuc, III4Fuc-LcOse4
Lacto-N-difucohexaose I
Lewis B hexasaccharide
LND I
α-L-Fucp-(1->4)-[α-L-Fucp-(1->2)-β-D-Galp-(1->3)]-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-D-Glcp
(Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1283.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 216.6±6.0 kJ/mol
Flash Point: 730.0±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: -1.16
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
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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