ChemSpider 2D Image | SUBEREAMOLLINE A | C17H23Br2N3O6

SUBEREAMOLLINE A

  • Molecular FormulaC17H23Br2N3O6
  • Average mass525.189 Da
  • Monoisotopic mass522.995361 Da
  • ChemSpider ID24719573

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

[4-({[(5S,10R)-7,9-Dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-trién-3-yl]carbonyl}amino)butyl]carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl]amino]butyl]-, ethyl ester [ACD/Index Name]
Ethyl [4-({[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)butyl]carbamate [ACD/IUPAC Name]
Ethyl-[4-({[(5S,10R)-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)butyl]carbamat [German] [ACD/IUPAC Name]
SUBEREAMOLLINE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL523578/

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.69
ACD/KOC (pH 5.5): 642.01
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.68
ACD/KOC (pH 7.4): 641.89
Polar Surface Area: 118 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 303.3±7.0 cm3

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