TES, sodium salt

CAT: 0024-sc-264384ASize: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264384ASize:100 g

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CAS Number

70331-82-7

Chemical Information

Ethanesulfonic acid, 2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)-, sodium salt (1:1)

CAS Number	70331-82-7
PubChem CID	23702152
IUPAC Name	sodium 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonate
Molecular Formula	C6H14NNaO6S
Molecular Weight	251.24
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

C(CS(=O)(=O)[O-])NC(CO)(CO)CO.[Na+]

InChI

InChI=1S/C6H15NO6S.Na/c8-3-6(4-9,5-10)7-1-2-14(11,12)13;/h7-10H,1-5H2,(H,11,12,13);/q;+1/p-1

InChIKey

GUXMFAHOYNRHBI-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 70331-82-7

CID: 23702152

Formula: C6H14NNaO6S

MW: 251.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	251.24
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	251.04395262
Monoisotopic Mass	251.04395262
Topological Polar Surface Area	138 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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