ChemSpider 2D Image | Methyl (2R,3S,4S,5R,6S,8R,10E,12S,13R)-3-[(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-6,12,13-trihydroxy-2,4,6,8,10,12-hexamethyl-9-oxo-5-{[3,4,6-trideoxy-3-(dimethylamino)-beta -D-xylo-hexopyranosyl]oxy}-10-pentadecenoate | C38H69NO13

Methyl (2R,3S,4S,5R,6S,8R,10E,12S,13R)-3-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6,12,13-trihydroxy-2,4,6,8,10,12-hexamethyl-9-oxo-5-{[3,4,6-trideoxy-3-(dimethylamino)-β -D-xylo-hexopyranosyl]oxy}-10-pentadecenoate

  • Molecular FormulaC38H69NO13
  • Average mass747.953 Da
  • Monoisotopic mass747.476868 Da
  • ChemSpider ID9171467

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2R,3S,4S,5R,6S,8R,10E,12S,13R)-3-[(2,6-Didésoxy-3-C-méthyl-3-O-méthyl-α-L-ribo-hexopyranosyl)oxy]-6,12,13-trihydroxy-2,4,6,8,10,12-hexaméthyl-9-oxo-5-{[3,4,6-tridésoxy-3-(diméthylamino)-β-D-xy lo-hexopyranosyl]oxy}-10-pentadécénoate de méthyle [French] [ACD/IUPAC Name]
D-glycero-L-ido-Heptonic acid, O-2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl-(1->3)-O-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl-(1->5)]-2,4,7-trideoxy-6-C-[(2R,4E,6S ,7R)-6,7-dihydroxy-2,4,6-trimethyl-3-oxo-4-nonen-1-yl]-2,4-dimethyl-, methyl ester [ACD/Index Name]
Methyl (2R,3S,4S,5R,6S,8R,10E,12S,13R)-3-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6,12,13-trihydroxy-2,4,6,8,10,12-hexamethyl-9-oxo-5-{[3,4,6-trideoxy-3-(dimethylamino)-β -D-xylo-hexopyranosyl]oxy}-10-pentadecenoate [ACD/IUPAC Name]
Methyl-(2R,3S,4S,5R,6S,8R,10E,12S,13R)-3-[(2,6-didesoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6,12,13-trihydroxy-2,4,6,8,10,12-hexamethyl-9-oxo-5-{[3,4,6-tridesoxy-3-(dimethylamino)-be ta-D-xylo-hexopyranosyl]oxy}-10-pentadecenoat [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: 822.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.0±6.0 kJ/mol
Flash Point: 451.2±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 195.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.78
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 21.53
ACD/KOC (pH 7.4): 192.11
Polar Surface Area: 194 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 633.9±5.0 cm3

Click to predict properties on the Chemicalize site


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