TAPSO Free Acid

CAT: 0024-sc-296445ASize: 1 KgDry Ice: NoHazardous: No

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CAT#:0024-sc-296445ASize:1 Kg

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CAS Number

68399-81-5

Chemical Information

N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid

CAS Number	68399-81-5
PubChem CID	109334
IUPAC Name	3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid
Molecular Formula	C7H17NO7S
Molecular Weight	259.28
XLogP	-6.4
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	16
Formal Charge	0
Complexity	273

SMILES

C(C(CS(=O)(=O)O)O)NC(CO)(CO)CO

InChI

InChI=1S/C7H17NO7S/c9-3-7(4-10,5-11)8-1-6(12)2-16(13,14)15/h6,8-12H,1-5H2,(H,13,14,15)

InChIKey

RZQXOGQSPBYUKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68399-81-5

CID: 109334

Formula: C7H17NO7S

MW: 259.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.28
XLogP3	-6.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	259.07257305
Monoisotopic Mass	259.07257305
Topological Polar Surface Area	156 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-296446C	TAPSO, Sodium Salt
sc-296446B	TAPSO, Sodium Salt
sc-296446A	TAPSO, Sodium Salt
sc-296446	TAPSO, Sodium Salt
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-205390A	Misoprostol (free acid)
sc-201508A	BAPTA, Free Acid
sc-216099A	PIPES, Free Acid
sc-223847	Butaprost, free acid

Catalog	Name
MBS6029777-01	TAPSO Free Acid
TB0921	TAPSO, free acid
52991702-01	TAPSO (N- (Tris (hydroxymethyl) methyl) -3-amino-2-hydroxypropane sulfonic acid)
024-55	Metorphinamide, free acid / Adrenorphin, free acid
BIM1576-01	Okadaic acid, free acid
FR11870-01	Ribonucleic acid free acid
114060 25	Nalidixic Acid free Acid
A2304-01	Cacodylic Acid, Free Acid
BIFK0050-01	Carnosic Acid, Free Acid
BIF6400-01	Fusidic acid, free acid