Fudosteine Impurity 27

CAT: 1299-RM-F225027-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F225027-01Size:10 mg

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CAS Number

1512670-99-3

Synonyms

(R) -ethyl 2-amino-3- ((3-hydroxypropyl) thio) propanoate

Molecular Formula

C8H17NO3S

Molecular Weight

207.29

Target Alternative Name

Fudosteine

Product Name Synonym

(R) -ethyl 2-amino-3- ((3-hydroxypropyl) thio) propanoate

Chemical Information

Fudosteine Impurity 27

CAS Number	1512670-99-3
PubChem CID	176479698
IUPAC Name	ethyl (2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoate
Molecular Formula	C8H17NO3S
Molecular Weight	207.29
XLogP	-0.1
Topological Polar Surface Area	97.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	143

SMILES

CCOC(=O)[C@H](CSCCCO)N

InChI

InChI=1S/C8H17NO3S/c1-2-12-8(11)7(9)6-13-5-3-4-10/h7,10H,2-6,9H2,1H3/t7-/m0/s1

InChIKey

ZJNZPSQYGUVUOI-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1512670-99-3

CID: 176479698

Formula: C8H17NO3S

MW: 207.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.29
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	207.09291458
Monoisotopic Mass	207.09291458
Topological Polar Surface Area	97.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	143
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
RM-F225021-01	Fudosteine Impurity 21 (S-Fudosteine)
RM-F225008-01	Fudosteine Impurity 8
RM-F225047-01	Fudosteine Impurity 47
RM-F225003-01	Fudosteine Impurity 3
RM-F225076-01	Fudosteine Impurity 76
RM-F225075-01	Fudosteine Impurity 75
RG-M200810-01	Fudosteine Impurity 42
RG-D031201-01	Fudosteine Impurity B
RM-F225039-01	Fudosteine Impurity 39