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H-D-Ala-Ala-OH

CAT: 0121-4000600.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4000600.0001Size:1 g
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CAS Number
1115-78-2
Specifications
G-1130.0001
Sequence
H-D-Ala-Ala-OH
Molecular Formula
C₆H₁₂N₂O₃
Molecular Weight
160.17
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

D-alanyl-L-alanine
CAS Number1115-78-2
PubChem CID439360
IUPAC Name(2S)-2-[[(2R)-2-aminopropanoyl]amino]propanoic acid
Molecular FormulaC6H12N2O3
Molecular Weight160.17
XLogP-3.3
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity169
SMILES
C[C@H](C(=O)N[C@@H](C)C(=O)O)N
InChI
InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
InChIKey
DEFJQIDDEAULHB-DMTCNVIQSA-N
Chemical Structure
2D Structure
2D structure of D-alanyl-L-alanine
CAS: 1115-78-2
CID: 439360
Formula: C6H12N2O3
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP3-3.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass160.08479225
Monoisotopic Mass160.08479225
Topological Polar Surface Area92.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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