Fudosteine Impurity 3

CAT: 1299-RM-F225003-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F225003-01Size:10 mg

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CAS Number

50727-79-2

Synonyms

(2R,2'R) -3,3'- (propane-1,3-diylbis (sulfanediyl) ) bis (2-aminopropanoic acid)

Molecular Formula

C9H18N2O4S2

Molecular Weight

282.38

Target Alternative Name

Fudosteine

Product Name Synonym

(2R,2'R) -3,3'- (propane-1,3-diylbis (sulfanediyl) ) bis (2-aminopropanoic acid)

Chemical Information

Fudosteine Impurity 3

CAS Number	50727-79-2
PubChem CID	318214
IUPAC Name	2-amino-3-[3-(2-amino-2-carboxyethyl)sulfanylpropylsulfanyl]propanoic acid
Molecular Formula	C9H18N2O4S2
Molecular Weight	282.4
XLogP	-5.3
Topological Polar Surface Area	177
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	17
Formal Charge	0
Complexity	229

SMILES

C(CSCC(C(=O)O)N)CSCC(C(=O)O)N

InChI

InChI=1S/C9H18N2O4S2/c10-6(8(12)13)4-16-2-1-3-17-5-7(11)9(14)15/h6-7H,1-5,10-11H2,(H,12,13)(H,14,15)

InChIKey

SCEZRAOBEAEWPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50727-79-2

CID: 318214

Formula: C9H18N2O4S2

MW: 282.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.4
XLogP3	-5.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	282.07079941
Monoisotopic Mass	282.07079941
Topological Polar Surface Area	177 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	229
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

Catalog	Name
RM-F225001-01	Fudosteine Impurity A; Fudosteine Sulfoxide
RM-F225021-01	Fudosteine Impurity 21 (S-Fudosteine)
RM-F225008-01	Fudosteine Impurity 8
RM-F225047-01	Fudosteine Impurity 47
RM-F225076-01	Fudosteine Impurity 76
RM-F225075-01	Fudosteine Impurity 75
RM-F225065-01	Fudosteine Impurity 65
RG-M200810-01	Fudosteine Impurity 42
RG-D031201-01	Fudosteine Impurity B
RM-F225063-01	Fudosteine Impurity 63