ChemSpider 2D Image | (3S,5R,6S,7R,8R,11R,12S,13R,15R,16R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-16-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3 -O-methyl-alpha-L-arabino-hexopyranoside | C35H61NO12

(3S,5R,6S,7R,8R,11R,12S,13R,15R,16R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-16-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3 -O-methyl-α-L-arabino-hexopyranoside

  • Molecular FormulaC35H61NO12
  • Average mass687.858 Da
  • Monoisotopic mass687.419373 Da
  • ChemSpider ID98612653

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3S,5R,6S,7R,8R,11R,12S,13R,15R,16R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-16-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3 -O-methyl-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(3S,5R,6S,7R,8R,11R,12S,13R,15R,16R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-16-{[3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl-2,6-didesoxy -3-O-methyl-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
1,9-Dioxaspiro[2.13]hexadecane-4,10-dione, 12-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-6-hydroxy-5,7,8,11,13,15-hexamethyl-16-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyra nosyl]oxy]-, (3S,5R,6S,7R,8R,11R,12S,13R,15R,16R)- [ACD/Index Name]
2,6-Didésoxy-3-O-méthyl-α-L-arabino-hexopyranoside de (3S,5R,6S,7R,8R,11R,12S,13R,15R,16R)-6-hydroxy-5,7,8,11,13,15-hexaméthyl-4,10-dioxo-16-{[3,4,6-tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyr anosyl]oxy}-1,9-dioxaspiro[2.13]hexadéc-12-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: 802.6±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: 439.2±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 42.77
Polar Surface Area: 166 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 568.4±5.0 cm3

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