POPSO

CAT: 1489-P3290-03Size: 500 gDry Ice: NoHazardous: No

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CAT#:1489-P3290-03Size:500 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

68189-43-5

Purity

0.99

Chemical Information

1,4-Piperazinedipropanesulfonic acid, beta1,beta4-dihydroxy-

CAS Number	68189-43-5
PubChem CID	109211
IUPAC Name	2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
Molecular Formula	C10H22N2O8S2
Molecular Weight	362.4
XLogP	-7.9
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	480

SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)

InChIKey

LVQFQZZGTZFUNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68189-43-5

CID: 109211

Formula: C10H22N2O8S2

MW: 362.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.4
XLogP3	-7.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	362.08175801
Monoisotopic Mass	362.08175801
Topological Polar Surface Area	172 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	480
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes