0M8

[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)

Created: 2012-02-28
Last modified:  2013-01-11

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count40
Aromatic Bond Count0
2D diagram of 0M8

Chemical Component Summary

Name[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
Systematic Name (OpenEye OEToolkits)[2-(heptylamino)-1-phosphono-ethyl]phosphonic acid
FormulaC9 H23 N O6 P2
Molecular Weight303.23
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)C(CNCCCCCCC)P(=O)(O)O
SMILESCACTVS3.370CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O
Canonical SMILESCACTVS3.370 CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O
InChIInChI1.03 InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyInChI1.03 WRMHTOUCTOHPIY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 13211563
ChEMBL CHEMBL261473