ChemSpider 2D Image | 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp | C31H55N3O19

4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp

  • Molecular FormulaC31H55N3O19
  • Average mass773.777 Da
  • Monoisotopic mass773.342957 Da
  • ChemSpider ID26333176

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp
4,6-Dideoxy-4-{[(2S)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-α-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-{[(2S)-2,4-dihydroxybutanoyl]amino}-α-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-{[(2S)-2,4-dihy droxybutanoyl]amino}-α-D-mannopyranose [ACD/IUPAC Name]
4,6-Didesoxy-4-{[(2S)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-α-D-mannopyranosyl-(1->2)-4,6-didesoxy-4-{[(2S)-2,4-dihydroxybutanoyl]amino}-α-D-mannopyranosyl-(1->2)-4,6-didesoxy-4-{[(2S)-2,4-d ihydroxybutanoyl]amino}-α-D-mannopyranose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(2S)-2,4-dihydroxybutanoyl]amino}-2-O-méthyl-α-D-mannopyranosyl-(1->2)-4,6-didésoxy-4-{[(2S)-2,4-dihydroxybutanoyl]amino}-α-D-mannopyranosyl-(1->2)-4,6-didésoxy-4-{[(2S)-2,4-d ihydroxybutanoyl]amino}-α-D-mannopyranose [French] [ACD/IUPAC Name]
α-D-Mannopyranose, O-4,6-dideoxy-4-[[(2S)-2,4-dihydroxy-1-oxobutyl]amino]-2-O-methyl-α-D-mannopyranosyl-(1->2)-O-4,6-dideoxy-4-[[(2S)-2,4-dihydroxy-1-oxobutyl]amino]-α-D-mannopyranosyl-(1- >2)-4,6-dideoxy-4-[[(2S)-2,4-dihydroxy-1-oxobutyl]amino]- [ACD/Index Name]
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-mannopyranoseVibrio Cholerae O1, serotype Ogawa trisaccharide
4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-2-O-methyl-α-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-α-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-α-D-mannopyranose
missing

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1191.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 199.4±6.0 kJ/mol
Flash Point: 674.5±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 176.2±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 510.1±5.0 cm3

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