ChemSpider 2D Image | N-methylfluvirucin A1 | C24H46N2O5

N-methylfluvirucin A1

  • Molecular FormulaC24H46N2O5
  • Average mass442.632 Da
  • Monoisotopic mass442.340668 Da
  • ChemSpider ID28532967

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3R,4S,7R,11S)-11-Ethyl-3,7-dimethyl-2-oxoazacyclotetradecan-4-yl 3,6-dideoxy-3-(methylamino)-α-L-talopyranoside [ACD/IUPAC Name]
(3R,4S,7R,11S)-11-Ethyl-3,7-dimethyl-2-oxoazacyclotetradecan-4-yl-3,6-didesoxy-3-(methylamino)-α-L-talopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(méthylamino)-α-L-talopyranoside de (3R,4S,7R,11S)-11-éthyl-3,7-diméthyl-2-oxoazacyclotétradécan-4-yle [French] [ACD/IUPAC Name]
Azacyclotetradecan-2-one, 4-[[3,6-dideoxy-3-(methylamino)-α-L-talopyranosyl]oxy]-11-ethyl-3,7-dimethyl-, (3R,4S,7R,11S)- [ACD/Index Name]
N-methylfluvirucin A1
3-[(3-methylamino-3,6-dideoxy-α-L-talopyranosyl) oxy]-2,6-dimethyl-10-ethyl-13-tridecanolactam
  • Miscellaneous

    • Chemical Class:

      A lactam that is 4-hydroxyazacyclotetradecan-2-one substituted by an ethyl group at position 11, methyl group at positions 3 and 7 and a 3,6-dideoxy-3-(methylamino)-<stereo>alpha</stereo>-<stereo>L</s tereo>-talopyranosyl moiety at position 4 via a glycosyl linkage (the 3<stereo>R</stereo>,4<stereo>S</stereo>,7<stereo>R</stereo>,11<stereo>S</stereo> stereoisomer). It is isolated from the fermentati on broth of <ital>Nonomuraea turkmeniaca</ital> MA7364 and exhibits anthelminthic activity. ChEBI CHEBI:65750
      A lactam that is 4-hydroxyazacyclotetradecan-2-one substituted by an ethyl group at position 11, methyl group at positions 3 and 7 and a 3,6-dideoxy-3-(methylamino)-alpha-L-talopyranosyl moiety at pos ition 4 via a glycosyl linkage (the 3R,4S,7R,11S stereoisomer). It is isolated from the fermentation broth of Nonomuraea turkmeniaca MA7364 and exhibits anthelminthic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65750, CHEBI:65750

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 333.8±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 8.01
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 67.08
ACD/KOC (pH 7.4): 362.56
Polar Surface Area: 100 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

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