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

Lacto-N-difucopentaose II

  • Molecular FormulaC38H65NO29
  • Average mass999.912 Da
  • Monoisotopic mass999.364197 Da
  • ChemSpider ID30776550

  • defined stereocentres - 29 of 29 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->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-D-man nose [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- mannose [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- mannose [French] [ACD/IUPAC Name]
D-Mannose, 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-galac topyranosyl-(1->4)]- [ACD/Index Name]
Lacto-N-difucopentaose II
62258-12-2 [RN]
Lacto-N-difucohexaose II
LNDFH II
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5S)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]o
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5S)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihyd
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1366.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 232.5±6.0 kJ/mol
Flash Point: 779.9±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 214.8±0.4 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 482 Å2
Polarizability: 85.1±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 583.0±5.0 cm3

Click to predict properties on the Chemicalize site


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