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

Lacto-N-difucohexaose

  • Molecular FormulaC38H65NO29
  • Average mass999.912 Da
  • Monoisotopic mass999.364197 Da
  • ChemSpider ID2339585
  • defined stereocentres - 29 of 29 defined stereocentres


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

Lacto-N-difucohexaose
2-Acetamido-2-deoxy-α-D-glucopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->5)]-[6-deoxy-α-L-galactopyranosyl-(1->2)-α-D-galactopyranosyl-(1->4)]-[α-D-galactopyranosyl-(1->;2)]- D-glucose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-glucopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->5)]-[6-desoxy-α-L-galactopyranosyl-(1->2)-α-D-galactopyranosyl-(1->4)]-[α-D-galactopyranosyl-(1->2 )]-D-glucose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-glucopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->5)]-[6-désoxy-α-L-galactopyranosyl-(1->2)-α-D-galactopyranosyl-(1->4)]-[α-D-galactopyranosyl-(1->2 )]-D-glucose [French] [ACD/IUPAC Name]
482638-98-2 [RN]
D-Glucose, O-2-(acetylamino)-2-deoxy-α-D-glucopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->5)]-O-[O-6-deoxy-α-L-galactopyranosyl-(1->2)-α-D-galactopyranosyl-(1->4)]-O-[α-D- galactopyranosyl-(1->2)]- [ACD/Index Name]
Difucosyllacto-N-hexaose I
Lacto-N-difucohexaose I (6CI,7CI)
LND I
LNDFH-I
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 1365.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 232.4±6.0 kJ/mol
Flash Point: 779.7±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: -1.68
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
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

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