DII

METHYLPHOSPHONIC ACID DIISOPROPYL ESTER

Created:	2000-06-14
Last modified:	2011-06-04

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2 entries where DII is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	0

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Chemical Component Summary
Name	METHYLPHOSPHONIC ACID DIISOPROPYL ESTER
Systematic Name (OpenEye OEToolkits)	2-(methyl-propan-2-yloxy-phosphoryl)oxypropane
Formula	C₇ H₁₇ O₃ P
Molecular Weight	180.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OC(C)C)(OC(C)C)C
SMILES	CACTVS	3.341	CC(C)O[P](C)(=O)OC(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)OP(=O)(C)OC(C)C
Canonical SMILES	CACTVS	3.341	CC(C)O[P](C)(=O)OC(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)OP(=O)(C)OC(C)C
InChI	InChI	1.03	InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
InChIKey	InChI	1.03	WOAFDHWYKSOANX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02127
Name	Diisopropyl methylphosphonate
Groups	experimental
Synonyms	DIMP Diisopropyl methylphosphonate Methylphosphonic acid bis(1-methylethyl)ester Diisopropyl methanephosphonate
CAS number	1445-75-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Parathion hydrolase	MQTRRVVLKSAAAAGTLLGGLAGCASVAGSIGTGDRINTVRGPITISEAG...	unknown
Parathion hydrolase	MQTRRVVLKSAAAAGTLLGGLAGCASVAGSIGTGDRINTVRGPITISEAG...	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