ChemSpider 2D Image | 2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-((3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside | C38H72N2O12

2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-((3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside

  • Molecular FormulaC38H72N2O12
  • Average mass748.984 Da
  • Monoisotopic mass748.508545 Da
  • ChemSpider ID2182

More details:

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

1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methylhexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]ox y]- [ACD/Index Name]
1-oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methylhexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy]-
2,6-Didésoxy-3-C-méthyl-3-O-méthylhexopyranoside de 2-éthyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptaméthyl-15-oxo-11-{[3,4,6-tridésoxy-3-(diméthylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadécan-13 -yle [French] [ACD/IUPAC Name]
2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-((3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside
2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside [ACD/IUPAC Name]
2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-tridesoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl-2,6-didesoxy-3-C-methyl-3-O-methylhexopyranosid [German] [ACD/IUPAC Name]
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,
117772-70-0 [RN]

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

AIDS160691 [DBID]
AIDS-160691 [DBID]
NSC643732 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 822.1±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: 451.0±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 197.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.33
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 17.32
Polar Surface Area: 180 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 632.7±5.0 cm3

Click to predict properties on the Chemicalize site


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