Cyclo (-D-Ala-D-Ala)

CAT: 0024-sc-285312ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285312ASize:1 g

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CAS Number

23927-13-1

Chemical Information

D-Alanine anhydride

CAS Number	23927-13-1
PubChem CID	676439
IUPAC Name	(3R,6R)-3,6-dimethylpiperazine-2,5-dione
Molecular Formula	C6H10N2O2
Molecular Weight	142.16
XLogP	-0.5
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	159

SMILES

C[C@@H]1C(=O)N[C@@H](C(=O)N1)C

InChI

InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m1/s1

InChIKey

WWISPHBAYBECQZ-QWWZWVQMSA-N

Chemical Structure

2D Structure

CAS: 23927-13-1

CID: 676439

Formula: C6H10N2O2

MW: 142.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.16
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	142.074227566
Monoisotopic Mass	142.074227566
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	159
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