D-Cysteic acid

CAT: 0926-KBA55498-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-KBA55498-01Size:1 g

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CAS Number

35554-98-4

MDL Number

MFCD17976481

Smiles

C (C (C (=O) O) N) S (=O) (=O) O

Molecular Formula

C3H7NO5S

Molecular Weight

169.16 g/mol

Controlled

Chemical Information

Cysteic acid, D-

CAS Number	35554-98-4
PubChem CID	2724336
IUPAC Name	(2S)-2-amino-3-sulfopropanoic acid
Molecular Formula	C3H7NO5S
Molecular Weight	169.16
XLogP	-4.5
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	214

SMILES

C([C@H](C(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1

InChIKey

XVOYSCVBGLVSOL-UWTATZPHSA-N

Chemical Structure

2D Structure

CAS: 35554-98-4

CID: 2724336

Formula: C3H7NO5S

MW: 169.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.16
XLogP3	-4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	169.00449350
Monoisotopic Mass	169.00449350
Topological Polar Surface Area	126 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes