ChemSpider 2D Image | 14-norpseurotin A | C21H23NO8

14-norpseurotin A

  • Molecular FormulaC21H23NO8
  • Average mass417.409 Da
  • Monoisotopic mass417.142365 Da
  • ChemSpider ID23329509
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,8S,9R)-8-Benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-penten-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-en-4,6-dion [German] [ACD/IUPAC Name]
(5S,8S,9R)-8-Benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-penten-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione [ACD/IUPAC Name]
(5S,8S,9R)-8-Benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-pentén-1-yl]-9-hydroxy-8-méthoxy-3-méthyl-1-oxa-7-azaspiro[4.4]non-2-ène-4,6-dione [French] [ACD/IUPAC Name]
14-norpseurotin A [Wiki]
1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-penten-1-yl]-9-hydroxy-8-methoxy-3-methyl-, (5S,8S,9R)- [ACD/Index Name]
1031727-34-0 [RN]
  • Miscellaneous
    • Chemical Class:

      An alkaloid that is the 14-nor derivative of pseurotin A. Isolated from <ital>Aspergillus sydowii</ital>, it exhibits antibacterial, antileishmanial and anticancer activities. ChEBI CHEBI:66636

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 142 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 289.3±5.0 cm3

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