ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-(3xi)-beta-D-xylo-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D- galactopyranosyl-(1->4)-D-glucose | C37H62N2O29

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D- galactopyranosyl-(1->4)-D-glucose

  • Molecular FormulaC37H62N2O29
  • Average mass998.884 Da
  • Monoisotopic mass998.343811 Da
  • ChemSpider ID59651614

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

(6R)-3,5-Dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-2-deoxy-2-[(Z)-(1-hydroxyethylide ne)amino]-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-[(Z)-(1-hydroxyethyliden)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-2-desoxy-2-[(Z)-(1-hydroxyethylid en)amino]-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [German] [ACD/IUPAC Name]
(6R)-3,5-Didésoxy-5-[(Z)-(1-hydroxyéthylidène)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-2-désoxy-2-[(Z)-(1-hydroxyéthyli dène)amino]-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D- galactopyranosyl-(1->4)-D-glucose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->;3)-β- D-galactopyranosyl-(1->4)-D-glucose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->;3)-β- D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, O-3,5-dideoxy-5-[[(1Z)-1-hydroxyethylidene]amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-O-2-deoxy-2-[[(1Z)-1-hydroxyethylidene]amino]- β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->;4)- [ACD/Index Name]
D-Glucose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-ga lactopyranosyl-(1->4)- [ACD/Index Name]
(2S,4S,5R,6R)-2-{[(2S,3R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
100789-83-1 [RN]
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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: 1445.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 248.3±6.0 kJ/mol
Flash Point: 827.9±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 212.7±0.4 cm3
#H bond acceptors: 31
#H bond donors: 19
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -3.90
ACD/LogD (pH 5.5): -8.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 510 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 115.3±5.0 dyne/cm
Molar Volume: 572.1±5.0 cm3

Click to predict properties on the Chemicalize site


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