ChemSpider 2D Image | Aurantimycin | C38H64N8O14

Aurantimycin

  • Molecular FormulaC38H64N8O14
  • Average mass856.960 Da
  • Monoisotopic mass856.454224 Da
  • ChemSpider ID8277625

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadeci n-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl]propanamid [German] [ACD/IUPAC Name]
(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadeci n-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl]propanamide [ACD/IUPAC Name]
(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(méthoxyméthyl)-19-méthyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadéci n-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-méthyltétrahydro-2H-pyran-2-yl]propanamide [French] [ACD/IUPAC Name]
(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl]propanamide
Aurantimycin
162478-50-4 [RN]
Aurantimycin A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1241097/

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

nchembio.2007.53-comp1 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.603
    Molar Refractivity: 211.9±0.4 cm3
    #H bond acceptors: 22
    #H bond donors: 8
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: -3.99
    ACD/LogD (pH 5.5): -3.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 289 Å2
    Polarizability: 84.0±0.5 10-24cm3
    Surface Tension: 70.7±5.0 dyne/cm
    Molar Volume: 617.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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