Fudosteine 50mg

CAT: 0628-A10409-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A10409-50Size:50 mg

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CAS Number

13189-98-5

Chemical Information

Fudosteine

Fudosteine is an organic molecular entity.

CAS Number	13189-98-5
PubChem CID	134669
IUPAC Name	(2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid
Molecular Formula	C6H13NO3S
Molecular Weight	179.24
XLogP	-3
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	120

SMILES

C(CO)CSC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1

InChIKey

KINWYTAUPKOPCQ-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 13189-98-5

CID: 134669

Formula: C6H13NO3S

MW: 179.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.24
XLogP3	-3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	179.06161445
Monoisotopic Mass	179.06161445
Topological Polar Surface Area	109 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	120
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

Catalog	Name
RM-F225001-01	Fudosteine Impurity A; Fudosteine Sulfoxide
328809	Fudosteine
RM-F225021-01	Fudosteine Impurity 21 (S-Fudosteine)
RM-F225011-01	Racemic Fudosteine
RM-F225049-01	Fudosteine-D6
RM-F225012-01	Fudosteine Sulfone
RM-F225008-01	Fudosteine Impurity 8
RM-F225047-01	Fudosteine Impurity 47