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Lacto-N-difucohexaose

Molecular FormulaC₃₈H₆₅NO₂₉
Average mass999.912 Da
Monoisotopic mass999.364197 Da
ChemSpider ID2339585

- 29 of 29 defined stereocentres

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Names and Synonyms
Database ID(s)

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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O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-β-D-)galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-D-Glucose

O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-O-2-acetamido-2-deoxy-β-D-glucopyranosyl-(->3)-O-β-D-galactopyranosyl-(1->4)-D-Glucopyranose( 8CI)

O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-β-δ-)galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-β-δ-glucopyranosyl-(1->3)-O-β-δ-galactopyranosyl-(1->4)-δ-Glucose

O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-β-δ-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-O-2-acetamido-2-deoxy-β-δ-glucopyranosyl-(->3)-O-β-δ-galactopyranosyl-(1->4)-δ-Glucopyranose( 8CI)

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)-D-Glucose

O-6-deoxy-α-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->2)-β-δ-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-β-δ-glucopyranosyl-(1->3)-O-β-δ-galactopyranosyl-(1->4)-δ-Glucose

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-O-[6-deoxy-a-L-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-b-D-galactopyra

D-Glucose, 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)-

Lacto-N-difucohexaose I

LND 1

N-[(2R,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R)-4-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-1-oxo-2-{[(2R,3R,4S,5R,6

N-[(2R,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R)-4-{[(2R,3R,4S,5R,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}OXAN-2-YL]OXY}-6-HYDROXY-1-OXO-2-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-3-YL]OXY}-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ACETAMIDE

nosyl-(1®4)-

O-6-Deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-2-acetamido-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-GlucopyranoseO-6-Deoxy-a-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->2)-b-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-Glucose

O-6-Deoxy-a-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->2)-b-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-Glucose

O-6-Deoxy-α-L-galactopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-O-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-D-GlucopyranoseO-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)-D-Glucose

R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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

EPA Pesticide Chemical Code 079011 [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

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

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

Click to predict properties on the Chemicalize site

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Lacto-N-difucohexaose

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