H23

(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

Created: 2007-06-28
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count48
Aromatic Bond Count0
2D diagram of H23
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Chemical Component Summary

Name(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
Systematic Name (OpenEye OEToolkits)(1-hydroxy-1-phosphono-dodecyl)phosphonic acid
FormulaC12 H28 O7 P2
Molecular Weight346.294
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)C(O)(CCCCCCCCCCC)P(=O)(O)O
SMILESCACTVS3.341CCCCCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILESCACTVS3.341 CCCCCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI1.03 InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
InChIKeyInChI1.03 KKVZONPEMODBBG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07873 
NameLauryl alcohol diphosphonic acid
Groups experimental
SynonymsLauryl alcohol diphosphonic acid
CAS number16610-63-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Geranylgeranyl pyrophosphate synthaseMEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIII...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL416301
PubChem 4395717
ChEMBL CHEMBL416301