ChemSpider 2D Image | 11-O-methylpseurotin A | C23H27NO8

11-O-methylpseurotin A

  • Molecular FormulaC23H27NO8
  • Average mass445.462 Da
  • Monoisotopic mass445.173676 Da
  • ChemSpider ID23310679

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5S,8S,9R)-8-Benzoyl-9-hydroxy-2-[(1S,2S,3Z)-1-hydroxy-2-methoxy-3-hexen-1-yl]-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-9-hydroxy-2-[(1S,2S,3Z)-1-hydroxy-2-methoxy-3-hexen-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione [ACD/IUPAC Name]
(5S,8S,9R)-8-Benzoyl-9-hydroxy-2-[(1S,2S,3Z)-1-hydroxy-2-méthoxy-3-hexén-1-yl]-8-méthoxy-3-méthyl-1-oxa-7-azaspiro[4.4]non-2-ène-4,6-dione [French] [ACD/IUPAC Name]
(5S,8S,9R)-8-benzoyl-9-hydroxy-2-[(1S,2S,3Z)-1-hydroxy-2-methoxyhex-3-en-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
11-O-methylpseurotin A
1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-9-hydroxy-2-[(1S,2S,3Z)-1-hydroxy-2-methoxy-3-hexen-1-yl]-8-methoxy-3-methyl-, (5S,8S,9R)- [ACD/Index Name]
956904-34-0 [RN]
11-O-methylpseurotin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400075/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 720.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.06
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: 131 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

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