ChemSpider 2D Image | aplysinone A | C24H26Br4N4O8

aplysinone A

  • Molecular FormulaC24H26Br4N4O8
  • Average mass818.101 Da
  • Monoisotopic mass813.848389 Da
  • ChemSpider ID23076384

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,10R)-7,9-Dibrom-N-[5-({[(5S,9S,10R)-7,9-dibrom-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl}amino)pentyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxam id [German] [ACD/IUPAC Name]
(5S,10R)-7,9-Dibromo-N-[5-({[(5S,9S,10R)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl}amino)pentyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carbo xamide [ACD/IUPAC Name]
(5S,10R)-7,9-Dibromo-N-[5-({[(5S,9S,10R)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]déca-2,6-dién-3-yl]carbonyl}amino)pentyl]-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carbo xamide [French] [ACD/IUPAC Name]
(5S,10R)-7,9-dibromo-N-[5-({[(5S,9S,10R)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl}amino)pentyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-[5-[[[(5S,9S,10R)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl]amino]pentyl]-10-hydroxy-8-methoxy-, (5S,10R)-
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-[5-[[[(5S,9S,10R)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl]amino]pentyl]-10-hydroxy-8-methoxy-, (5S,10R)- [ACD/Index Name]
aplysinone A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL274349/

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 154.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.43
ACD/KOC (pH 5.5): 1035.44
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.40
ACD/KOC (pH 7.4): 1035.14
Polar Surface Area: 168 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 389.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement