H-Ala-D-Phe-OH

CAT: 0926-FA107972-01Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-FA107972-01Size:1000 mg

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CAS Number

3061-93-6

MDL Number

MFCD00065105

Smiles

C[C@@H] (C (=O) N[C@H] (CC1=CC=CC=C1) C (=O) O) N

Molecular Formula

C12H16N2O3

Molecular Weight

236.27 g/mol

Controlled

Chemical Information

H-Ala-D-phe-OH

CAS Number	3061-93-6
PubChem CID	6992398
IUPAC Name	(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
Molecular Formula	C12H16N2O3
Molecular Weight	236.27
XLogP	-2.5
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	275

SMILES

C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10+/m0/s1

InChIKey

OMNVYXHOSHNURL-WCBMZHEXSA-N

Chemical Structure

2D Structure

CAS: 3061-93-6

CID: 6992398

Formula: C12H16N2O3

MW: 236.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.27
XLogP3	-2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	236.11609238
Monoisotopic Mass	236.11609238
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	275
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	1
Compound Is Canonicalized	Yes