ChemSpider 2D Image | hispidospermidin | C25H47N3O

hispidospermidin

  • Molecular FormulaC25H47N3O
  • Average mass405.660 Da
  • Monoisotopic mass405.371918 Da
  • ChemSpider ID24693801

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1,4-Butanediamine, N4-[(3R,3aS,6R,7R,8S,9S,9aS)-decahydro-3,6,9-trimethyl-6,9-epoxy-3a,7-methano-3aH-cyclopentacycloocten-8-yl]-N1-[3-(dimethylamino)propyl]-N1-methyl- [ACD/Index Name]
hispidospermidin
N-[3-(Dimethylamino)propyl]-N-methyl-N'-[(1S,2R,5S,6S,7S,8R,9R)-2,6,9-trimethyl-13-oxatetracyclo[6.3.1.16,9.01,5]tridec-7-yl]-1,4-butandiamin [German] [ACD/IUPAC Name]
N-[3-(Dimethylamino)propyl]-N-methyl-N'-[(1S,2R,5S,6S,7S,8R,9R)-2,6,9-trimethyl-13-oxatetracyclo[6.3.1.16,9.01,5]tridec-7-yl]-1,4-butanediamine [ACD/IUPAC Name]
N-[3-(Diméthylamino)propyl]-N-méthyl-N'-[(1S,2R,5S,6S,7S,8R,9R)-2,6,9-triméthyl-13-oxatétracyclo[6.3.1.16,9.01,5]tridéc-7-yl]-1,4-butanediamine [French] [ACD/IUPAC Name]
(-)-hispidospermidin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470544/
N-[3-(dimethylamino)propyl]-N-methyl-N'-[(3R,3aS,6R,7R,8S,9S,9aS)-3,6,9-trimethyldecahydro-6,9-epoxy-3a,7-methanocyclopenta[8]annulen-8-yl]butane-1,4-diamine
  • Miscellaneous

    • Chemical Class:

      A bridged compound with a trimethylspermidine side chain. It is isolated from <ital>Chaetosphaeronema hispidulum</ital> (Cda) Moesz NR 7127 and has been shown to exhibit inhibitory activity against ph osphatidylinositol-specific phospholipase C (PLC). ChEBI CHEBI:66017
      A bridged compound with a trimethylspermidine side chain. It is isolated from Chaetosphaeronema hispidulum (Cda) Moesz NR 7127 and has been shown to exhibit inhibitory activity against ph; osphatidyli nositol-specific phospholipase C (PLC). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66017
      A bridged compound with a trimethylspermidine side chain. It is isolated from Chaetosphaeronema hispidulum (Cda) Moesz NR 7127 and has been shown to exhibit inhibitory activity against phosphatidylino sitol-specific phospholipase C (PLC). ChEBI CHEBI:66017

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

Density: 1.0±0.1 g/cm3
Boiling Point: 487.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.6±25.9 °C
Index of Refraction: 1.536
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 28 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 393.4±5.0 cm3

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