ChemSpider 2D Image | Mycaminosyltylonolide | C31H51NO10

Mycaminosyltylonolide

  • Molecular FormulaC31H51NO10
  • Average mass597.737 Da
  • Monoisotopic mass597.351318 Da
  • ChemSpider ID4941980

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-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 (4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-éthyl-4-hydroxy-15-(hydroxyméthyl)-5,9,13-triméthyl-2,10-dioxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6- yle [French] [ACD/IUPAC Name]
61257-02-1 [RN]
Mycaminosyltylonolide
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 6-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6S,7R,9R,11E,13E,15 R,16R)- [ACD/Index Name]
[6-(4-Dimethylamino-3,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-16-ethyl-4-hydroxy-15-hydroxymethyl-5,9,13-trimethyl-2,10-dioxo-oxacyclohexadeca-11,13-dien-7-yl]-acetaldehyde
5-O-(3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl)-tylonolide
5-O-mycaminosyltylonolide
5-O-β-D-Mycaminosyltylonolide
More...
  • Miscellaneous

    • Chemical Class:

      A macrolide antibiotic that is tylonolide having a <stereo>beta</stereo>-<stereo>D</stereo>-mycaminosyl residue attached at position 5. ChEBI CHEBI:77011
      A macrolide antibiotic that is tylonolide having a beta-D-mycaminosyl residue attached at position 5. ChEBI CHEBI:77011

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

Density: 1.2±0.1 g/cm3
Boiling Point: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 437.6±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 46.57
Polar Surface Area: 163 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 495.3±5.0 cm3

Click to predict properties on the Chemicalize site


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