MES hemisodium salt

CAT: 0024-sc-216093ASize: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-216093ASize:100 g

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CAS Number

117961-21-4

Chemical Information

Sodium 2-(morpholin-4-yl)ethane-1-sulfonate--2-(morpholin-4-yl)ethane-1-sulfonic acid (1/1/1)

CAS Number	117961-21-4
PubChem CID	53393467
IUPAC Name	sodium;2-morpholin-4-ylethanesulfonate;2-morpholin-4-ylethanesulfonic acid
Molecular Formula	C12H25N2NaO8S2
Molecular Weight	412.5
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	433

SMILES

C1COCCN1CCS(=O)(=O)O.C1COCCN1CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/2C6H13NO4S.Na/c2*8-12(9,10)6-3-7-1-4-11-5-2-7;/h2*1-6H2,(H,8,9,10);/q;;+1/p-1

InChIKey

KHQSUKMBWPKXOP-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 117961-21-4

CID: 53393467

Formula: C12H25N2NaO8S2

MW: 412.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	412.09500239
Monoisotopic Mass	412.09500239
Topological Polar Surface Area	153 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	433
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	3
Compound Is Canonicalized	Yes

Catalog	Name
sc-216096A	MOPS hemisodium salt
sc-235279	HEPES hemisodium salt
sc-216096	MOPS hemisodium salt
sc-489650	Alpha-Methoxyphenylacetic Acid Hemisodium Salt
sc-286156	MES potassium salt
sc-216095	MES, Sodium Salt
sc-286156C	MES potassium salt
sc-216095B	MES, Sodium Salt
sc-286156A	MES potassium salt
sc-216095A	MES, Sodium Salt