ChemSpider 2D Image | (3S,5R,6R,7S,8S,11R,12R,13R,14R,15R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-alpha-L-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-
3-O-methyl-beta-L-lyxo-hexopyranoside | C35H61NO12

(3S,5R,6R,7S,8S,11R,12R,13R,14R,15R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-α-L-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy- 3-O-methyl-β-L-lyxo-hexopyranoside

  • Molecular FormulaC35H61NO12
  • Average mass687.858 Da
  • Monoisotopic mass687.419373 Da
  • ChemSpider ID5036620
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(3S,5R,6R,7S,8S,11R,12R,13R,14R,15R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-α-L-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy- 3-O-methyl-β-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(3S,5R,6R,7S,8S,11R,12R,13R,14R,15R)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-tridesoxy-3-(dimethylamino)-α-L-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl-2,6-didesox y-3-O-methyl-β-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
1,9-Dioxaspiro[2.13]hexadecane-4,10-dione, 12-[(2,6-dideoxy-3-O-methyl-β-L-lyxo-hexopyranosyl)oxy]-6-hydroxy-5,7,8,11,13,15-hexamethyl-14-[[3,4,6-trideoxy-3-(dimethylamino)-α-L-xylo-hexopyranos yl]oxy]-, (3S,5R,6R,7S,8S,11R,12R,13R,14R,15R)- [ACD/Index Name]
2,6-Didésoxy-3-O-méthyl-β-L-lyxo-hexopyranoside de (3S,5R,6R,7S,8S,11R,12R,13R,14R,15R)-6-hydroxy-5,7,8,11,13,15-hexaméthyl-4,10-dioxo-14-{[3,4,6-tridésoxy-3-(diméthylamino)-α-L-xylo-hexopyrano syl]oxy}-1,9-dioxaspiro[2.13]hexadéc-12-yle [French] [ACD/IUPAC Name]

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

NCGC00016680-01 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 1.23
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 33.80
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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