ChemSpider 2D Image | Virginiamycin S1 | C43H49N7O10

Virginiamycin S1

  • Molecular FormulaC43H49N7O10
  • Average mass823.890 Da
  • Monoisotopic mass823.354065 Da
  • ChemSpider ID4534976
  • defined stereocentres - 7 of 7 defined stereocentres


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2-Pyridinecarboxamide, N-[(6R,9S,10R,13S,15aS,22S,24aS)-6-ethyldocosahydro-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyl-22-(phenylmethyl)-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapent aazacyclononadecin-9-yl]-3-hydroxy- [ACD/Index Name]
J91D5GN5AT
N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-Benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydr oxy-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-Benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydr oxy-2-pyridinecarboxamide [ACD/IUPAC Name]
N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-Benzyl-6-éthyl-10,23-diméthyl-5,8,12,15,17,21,24-heptaoxo-13-phényldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadécin-9-yl]-3-hydr oxy-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
Virginiamycin S1 [Wiki]
8
N-((3-hydroxy-2-pyridinyl)carbonyl)-L-threonyl-D-α-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone
N-((6R,9S,10R,13S,15aS,22S,24aS)-22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-9-yl)-3-hydroxypicolinamide
N-(3-hydroxypicolinoyl)-L-threonyl-D-α-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone
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  • Miscellaneous
    • Chemical Class:

      A cyclodepsipeptide that is <element>N</element>-(3-hydroxypicolinoyl)-<stereo>L</stereo>-threonyl-<stereo>D</stereo>-<locant>alpha</locant>-aminobutyryl-<stereo>L</stereo>-prolyl-<element>N</element> -methyl-<stereo>L</stereo>-phenylalanyl-4-oxo-<stereo>L</stereo>-pipecoloyl-<stereo>L</stereo>-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecu lar condensation with the hydroxy group of the <element>N</element>-(3-hydroxypicolinoyl)-<stereo>L</stereo>-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major com ponents of the antibacterial drug virginiamycin, produced by <ital>Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus,</ital> and others. ChEBI CHEBI:46416

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1182.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.3±3.0 kJ/mol
Flash Point: 669.2±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 214.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 587.3±5.0 cm3

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