Found 1 result

Search term: 73930400 (Found by CSID)
ChemSpider 2D Image | cephalimysin N | C22H21NO8

cephalimysin N

  • Molecular FormulaC22H21NO8
  • Average mass427.404 Da
  • Monoisotopic mass427.126709 Da
  • ChemSpider ID73930400

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5S,8S)-8-Benzoyl-2-(5-ethyl-2-furyl)-9-hydroxy-3-(hydroxymethyl)-8-methoxy-1-oxa-7-azaspiro[4.4]non-2-en-4,6-dion [German] [ACD/IUPAC Name]
(5S,8S)-8-Benzoyl-2-(5-ethyl-2-furyl)-9-hydroxy-3-(hydroxymethyl)-8-methoxy-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione [ACD/IUPAC Name]
(5S,8S)-8-Benzoyl-2-(5-éthyl-2-furyl)-9-hydroxy-3-(hydroxyméthyl)-8-méthoxy-1-oxa-7-azaspiro[4.4]non-2-ène-4,6-dione [French] [ACD/IUPAC Name]
1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-2-(5-ethyl-2-furanyl)-9-hydroxy-3-(hydroxymethyl)-8-methoxy-, (5S,8S)- [ACD/Index Name]
cephalimysin N

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.7±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.28
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: 135 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 289.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement