Bestatin Impurity 3 HCl

CAT: 1596-AR-B06955-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06955-01Size:10 Units

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

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CAS Number

129593-20-0

Molecular Formula

C10H13NO3. HCl

Molecular Weight

195.22 36.46

API Name

Bestatin

Chemical Information

(2S,3S)-3-Amino-2-hydroxy-4-phenylbutyric acid hydrochloride

CAS Number	129593-20-0
PubChem CID	68744784
IUPAC Name	(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid;hydrochloride
Molecular Formula	C10H14ClNO3
Molecular Weight	231.67
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	190

SMILES

C1=CC=C(C=C1)C[C@@H]([C@@H](C(=O)O)O)N.Cl

InChI

InChI=1S/C10H13NO3.ClH/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7;/h1-5,8-9,12H,6,11H2,(H,13,14);1H/t8-,9-;/m0./s1

InChIKey

OPVMPYQFOLATCK-OZZZDHQUSA-N

Chemical Structure

2D Structure

CAS: 129593-20-0

CID: 68744784

Formula: C10H14ClNO3

MW: 231.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.67
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	231.0662210
Monoisotopic Mass	231.0662210
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
BJ579	Bestatin