ChemSpider 2D Image | (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4-dihydroxy-10-methoxy-3,5,7,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-ribo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadeca n-13-yl 2,6-dideoxy-3-C-methyl-3,4-di-O-methyl-beta-D-lyxo-hexopyranoside | C40H76N2O12

(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4-dihydroxy-10-methoxy-3,5,7,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-ribo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadeca n-13-yl 2,6-dideoxy-3-C-methyl-3,4-di-O-methyl-β-D-lyxo-hexopyranoside

  • Molecular FormulaC40H76N2O12
  • Average mass777.038 Da
  • Monoisotopic mass776.539856 Da
  • ChemSpider ID30842947

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4-dihydroxy-10-methoxy-3,5,7,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-ribo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadeca n-13-yl 2,6-dideoxy-3-C-methyl-3,4-di-O-methyl-β-D-lyxo-hexopyranoside [ACD/IUPAC Name]
(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4-dihydroxy-10-methoxy-3,5,7,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-tridesoxy-3-(dimethylamino)-β-D-ribo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadec an-13-yl-2,6-didesoxy-3-C-methyl-3,4-di-O-methyl-β-D-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
1-Oxa-7-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3,4-di-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimet hylamino)-β-D-ribo-hexopyranosyl]oxy]-, (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)- [ACD/Index Name]
2,6-Didésoxy-3-C-méthyl-3,4-di-O-méthyl-β-D-lyxo-hexopyranoside de (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-éthyl-3,4-dihydroxy-10-méthoxy-3,5,7,8,10,12,14-heptaméthyl-15-oxo-11-{[3,4,6-tridésoxy-3-( diméthylamino)-β-D-ribo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadécan-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 786.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 207.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.79
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 7.18
ACD/KOC (pH 7.4): 38.90
Polar Surface Area: 158 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 682.1±5.0 cm3

Click to predict properties on the Chemicalize site


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