ChemSpider 2D Image | Zwittermicin A | C13H28N6O8

Zwittermicin A

  • Molecular FormulaC13H28N6O8
  • Average mass396.397 Da
  • Monoisotopic mass396.196869 Da
  • ChemSpider ID24669086
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(+)-Zwittermicin A
(2S,3R,4R,5R,7R,8S)-4,8-Diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxo-2-propanyl]-2,3,5,7,9-pentahydroxynonanamid [German] [ACD/IUPAC Name]
(2S,3R,4R,5R,7R,8S)-4,8-Diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxo-2-propanyl]-2,3,5,7,9-pentahydroxynonanamide [ACD/IUPAC Name]
(2S,3R,4R,5R,7R,8S)-4,8-Diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxo-2-propanyl]-2,3,5,7,9-pentahydroxynonanamide [French] [ACD/IUPAC Name]
Zwittermicin A [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 952.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.3±6.0 kJ/mol
Flash Point: 529.9±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 15
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -3.71
ACD/LogD (pH 5.5): -7.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 94.8±3.0 dyne/cm
Molar Volume: 257.0±3.0 cm3

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