2BW

(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid

Created:	2013-09-19
Last modified:	2020-06-05

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1 entries where 2BW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

2D diagram of 2BW

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Chemical Component Summary
Name	(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
Synonyms	CGP 35348
Systematic Name (OpenEye OEToolkits)	3-azanylpropyl(diethoxymethyl)phosphinic acid
Formula	C₈ H₂₀ N O₄ P
Molecular Weight	225.222
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(CCCN)C(OCC)OCC
SMILES	CACTVS	3.385	CCOC(OCC)[P](O)(=O)CCCN
SMILES	OpenEye OEToolkits	1.7.6	CCOC(OCC)P(=O)(CCCN)O
Canonical SMILES	CACTVS	3.385	CCOC(OCC)[P](O)(=O)CCCN
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCOC(OCC)P(=O)(CCCN)O
InChI	InChI	1.03	InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
InChIKey	InChI	1.03	QIIVUOWTHWIXFO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	107699
ChEMBL	CHEMBL40157

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