ChemSpider 2D Image | (3R,4S,5S,6R,7R,9S,11R,12S,14R)-14-Ethyl-7,12-dihydroxy-3,5,9,11,13-pentamethyl-2,10-dioxo-6-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclotetradecan-4-yl 2,6-dideoxy-3-C-me thyl-3-O-methyl-alpha-L-ribo-hexopyranoside | C36H65NO12

(3R,4S,5S,6R,7R,9S,11R,12S,14R)-14-Ethyl-7,12-dihydroxy-3,5,9,11,13-pentamethyl-2,10-dioxo-6-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclotetradecan-4-yl 2,6-dideoxy-3-C-me thyl-3-O-methyl-α-L-ribo-hexopyranoside

  • Molecular FormulaC36H65NO12
  • Average mass703.901 Da
  • Monoisotopic mass703.450684 Da
  • ChemSpider ID8409279

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(3R,4S,5S,6R,7R,9S,11R,12S,14R)-14-Ethyl-7,12-dihydroxy-3,5,9,11,13-pentamethyl-2,10-dioxo-6-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclotetradecan-4-yl 2,6-dideoxy-3-C-me thyl-3-O-methyl-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9S,11R,12S,14R)-14-Ethyl-7,12-dihydroxy-3,5,9,11,13-pentamethyl-2,10-dioxo-6-{[3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclotetradecan-4-yl-2,6-didesoxy-3-C- methyl-3-O-methyl-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-3-C-méthyl-3-O-méthyl-α-L-ribo-hexopyranoside de (3R,4S,5S,6R,7R,9S,11R,12S,14R)-14-éthyl-7,12-dihydroxy-3,5,9,11,13-pentaméthyl-2,10-dioxo-6-{[3,4,6-tridésoxy-3-(diméthylamino)-β- D-xylo-hexopyranosyl]oxy}oxacyclotétradécan-4-yle [French] [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: 807.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 442.1±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 182.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 8.69
ACD/KOC (pH 7.4): 100.40
Polar Surface Area: 174 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 594.4±5.0 cm3

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