ChemSpider 2D Image | 1-[(3Z,11S,12S,13S)-12,13-Dihydroxy-6-isonicotinoyl-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-3-en-9-yl]ethanone | C24H37N3O6

1-[(3Z,11S,12S,13S)-12,13-Dihydroxy-6-isonicotinoyl-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-3-en-9-yl]ethanone

  • Molecular FormulaC24H37N3O6
  • Average mass463.567 Da
  • Monoisotopic mass463.268250 Da
  • ChemSpider ID80830471

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(3Z,11S,12S,13S)-12,13-Dihydroxy-6-isonicotinoyl-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-3-en-9-yl]ethanon [German] [ACD/IUPAC Name]
1-[(3Z,11S,12S,13S)-12,13-Dihydroxy-6-isonicotinoyl-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-3-en-9-yl]ethanone [ACD/IUPAC Name]
1-[(3Z,11S,12S,13S)-12,13-Dihydroxy-6-isonicotinoyl-11-(3-méthylbutoxy)-1-oxa-6,9-diazacyclotétradéc-3-én-9-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3Z,11S,12S,13S)-12,13-dihydroxy-11-(3-methylbutoxy)-6-(4-pyridinylcarbonyl)-1-oxa-6,9-diazacyclotetradec-3-en-9-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 671.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.69
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.47
Polar Surface Area: 112 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 383.3±5.0 cm3

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