T3A

N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID

Created:	2005-05-11
Last modified:	2011-06-04

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5 entries where T3A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

2D diagram of T3A

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Chemical Component Summary
Name	N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID
Systematic Name (OpenEye OEToolkits)	3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propane-1-sulfonic acid
Formula	C₇ H₁₇ N O₆ S
Molecular Weight	243.278
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCCNC(CO)(CO)CO
SMILES	CACTVS	3.341	OCC(CO)(CO)NCCC[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CNC(CO)(CO)CO)CS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	OCC(CO)(CO)NCCC[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CNC(CO)(CO)CO)CS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)
InChIKey	InChI	1.03	YNLCVAQJIKOXER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	121591, 6993217

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