Q04

[(1R)-1-amino-2-cyclohexylethyl]phosphonic acid

Created:	2014-08-06
Last modified:	2015-03-25

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1 entries where Q04 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	0

2D diagram of Q04

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Chemical Component Summary
Name	[(1R)-1-amino-2-cyclohexylethyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[(1R)-1-azanyl-2-cyclohexyl-ethyl]phosphonic acid
Formula	C₈ H₁₈ N O₃ P
Molecular Weight	207.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)C(N)CC1CCCCC1
SMILES	CACTVS	3.385	N[CH](CC1CCCCC1)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C1CCC(CC1)CC(N)P(=O)(O)O
Canonical SMILES	CACTVS	3.385	N[C@@H](CC1CCCCC1)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1CCC(CC1)C[C@H](N)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1
InChIKey	InChI	1.03	VWVYLBIQWASACG-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	91664010

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