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ChemSpider 2D Image | Pristinamycin IA | C45H54N8O10

Pristinamycin IA

  • Molecular FormulaC45H54N8O10
  • Average mass866.958 Da
  • Monoisotopic mass866.396301 Da
  • ChemSpider ID9311783

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

2-Pyridinecarboxamide, N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-[[4-(dimethylamino)phenyl]methyl]-6-ethyldocosahydro-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyl-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4 ,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxy- [ACD/Index Name]
3131-03-1 [RN]
N-{(6R,9S,10R,13S,15aS,22S,24aS)-22-[4-(Dimethylamino)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]oxapentaazacyclonon adecin-9-yl}-3-hydroxy-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{(6R,9S,10R,13S,15aS,22S,24aS)-22-[4-(Dimethylamino)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]oxapentaazacyclonon adecin-9-yl}-3-hydroxy-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{(6R,9S,10R,13S,15aS,22S,24aS)-22-[4-(Diméthylamino)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]oxapentaazacyclonon adécin-9-yl}-3-hydroxy-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
Ostreogrycin B
Pristinamycin IA [Wiki]
Streptogramin B
V50XJ0NC3I
Vernamycin B α
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 8681 [DBID]
NSC 92554 [DBID]
  • Miscellaneous

    • Chemical Class:

      A cyclodepsipeptide that is (together with pristinamycin IIA) a component of pristinamycin, an oral streptogramin antibiotic produced by <ital>Streptomyces pristinaespiralis</ital>. Pristinamycin exhi bits bactericidal activity against Gram positive organisms including methicillin-resistant <ital>Staphylococcus aureus</ital>. ChEBI CHEBI:8417
      A cyclodepsipeptide that is (together with pristinamycin IIA) a component of pristinamycin, an oral streptogramin antibiotic produced by Streptomyces pristinaespiralis. Pristinamycin exhibits bacteric idal activity against Gram positive organisms including methicillin-resistant Staphylococcus aureus. ChEBI CHEBI:8417

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1202.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.6±3.0 kJ/mol
Flash Point: 680.8±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 228.0±0.4 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 90.4±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 624.9±5.0 cm3

Click to predict properties on the Chemicalize site


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