ChemSpider 2D Image | methyl 4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-alpha-D-Manp | C22H40N2O13

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

  • Molecular FormulaC22H40N2O13
  • Average mass540.559 Da
  • Monoisotopic mass540.253052 Da
  • ChemSpider ID393131

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

4,6-Didésoxy-2-O-(4,6-didésoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-méthyl-α-D-mannopyranosyl)-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-α-D-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4,6-dideoxy-2-O-(4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-α-D-mannopyranosyl)-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-α-D-mannopyranoside [ACD/IUPAC Name]
methyl 4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-α-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-α-D-Manp
Methyl-4,6-didesoxy-2-O-(4,6-didesoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-α-D-mannopyranosyl)-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, methyl 4,6-dideoxy-2-O-[4,6-dideoxy-4-[[(2R)-2,4-dihydroxy-1-oxobutyl]amino]-2-O-methyl-α-D-mannopyranosyl]-4-[[(2R)-2,4-dihydroxy-1-oxobutyl]amino]- [ACD/Index Name]
2-O-[2-O-METHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-]-α-D-MANNOPYRANOSYL-[1-O-METHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY]-α-D-MANNOPYRANOSE
methyl 4,6-dideoxy-2-O-{4,6-dideoxy-4-[(2R)-2,4-dihydroxybutanamido]-2-O-methyl-α-D-mannopyranosyl}-4-[(2R)-2,4-dihydroxybutamido]-α-D-mannopyranoside
methyl 4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-α-D-Man2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-α-D-Man
MGU

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

Density: 1.4±0.1 g/cm3
Boiling Point: 904.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.3±6.0 kJ/mol
Flash Point: 500.9±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 226 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

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