ChemSpider 2D Image | (5S,6R,7R,9R,11E,13E,15R,16R)-16-Ethyl-15-(hydroxymethyl)-3,5,9,13-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside | C32H53NO9

(5S,6R,7R,9R,11E,13E,15R,16R)-16-Ethyl-15-(hydroxymethyl)-3,5,9,13-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside

  • Molecular FormulaC32H53NO9
  • Average mass595.765 Da
  • Monoisotopic mass595.372009 Da
  • ChemSpider ID8092277

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(5S,6R,7R,9R,11E,13E,15R,16R)-16-Ethyl-15-(hydroxymethyl)-3,5,9,13-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside [ACD/IUPAC Name]
(5S,6R,7R,9R,11E,13E,15R,16R)-16-Ethyl-15-(hydroxymethyl)-3,5,9,13-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl-3,6-didesoxy-3-(dimethylamino)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(diméthylamino)-β-D-glucopyranoside de (5S,6R,7R,9R,11E,13E,15R,16R)-16-éthyl-15-(hydroxyméthyl)-3,5,9,13-tétraméthyl-2,10-dioxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 6-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-15-(hydroxymethyl)-3,5,9,13-tetramethyl-2,10-dioxo-, (5S,6R,7R,9R,11E,13E,15R,16R)- [ACD/Index 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: 770.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.8±6.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.04
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 14.84
ACD/KOC (pH 7.4): 195.45
Polar Surface Area: 143 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 514.2±5.0 cm3

Click to predict properties on the Chemicalize site


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