ChemSpider 2D Image | Methyl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl-(1->3)-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl-(1->5)]-(5R)-2,4-dideoxy-5-C-{(2R,4R,5S)-5-[(2E,4S,5R)-4,5-dihydr oxy-4-methyl-2-hepten-2-yl]-5-hydroxy-2,4-dimethyltetrahydro-2-furanyl}-2,4-dimethyl-D-xylonate | C38H69NO13

Methyl 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl-(1->3)-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl-(1->5)]-(5R)-2,4-dideoxy-5-C-{(2R,4R,5S)-5-[(2E,4S,5R)-4,5-dihydr oxy-4-methyl-2-hepten-2-yl]-5-hydroxy-2,4-dimethyltetrahydro-2-furanyl}-2,4-dimethyl-D-xylonate

  • Molecular FormulaC38H69NO13
  • Average mass747.953 Da
  • Monoisotopic mass747.476868 Da
  • ChemSpider ID9160722

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

2,6-Didésoxy-3-C-méthyl-3-O-méthyl-α-L-ribo-hexopyranosyl-(1->3)-[3,4,6-tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranosyl-(1->5)]-(5R)-2,4-didésoxy-5-C-{(2R,4R,5S)-5-[(2E,4S,5R)-4,5-dihydroxy- 4-méthyl-2-heptén-2-yl]-5-hydroxy-2,4-diméthyltétrahydro-2-furanyl}-2,4-diméthyl-D-xylonate de méthyle [French] [ACD/IUPAC Name]
L-threo-α-L-ido-Nonofuranuronic acid, O-2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl-(1->7)-O-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl-(1->5)]-2,3,6,8-tetradeoxy -1-C-[(1E,3S,4R)-3,4-dihydroxy-1,3-dimethyl-1-hexen-1-yl]-2,6,8-trimethyl-4-C-methyl-, methyl ester [ACD/Index Name]
Methyl 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl-(1->3)-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl-(1->5)]-(5R)-2,4-dideoxy-5-C-{(2R,4R,5S)-5-[(2E,4S,5R)-4,5-dihydr oxy-4-methyl-2-hepten-2-yl]-5-hydroxy-2,4-dimethyltetrahydro-2-furanyl}-2,4-dimethyl-D-xylonate [ACD/IUPAC Name]
Methyl-2,6-didesoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl-(1->3)-[3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl-(1->5)]-(5R)-2,4-didesoxy-5-C-{(2R,4R,5S)-5-[(2E,4S,5R)-4,5-dih ydroxy-4-methyl-2-hepten-2-yl]-5-hydroxy-2,4-dimethyltetrahydro-2-furanyl}-2,4-dimethyl-D-xylonat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 802.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 439.1±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 195.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 17.12
ACD/KOC (pH 7.4): 165.51
Polar Surface Area: 186 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 624.7±5.0 cm3

Click to predict properties on the Chemicalize site


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