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Ac-D-Ala-D-lactic acid

CAT: 0926-FA107910-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FA107910-01Size:100 mg
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CAS Number
136577-05-4
MDL Number
MFCD00672368
Smiles
C[C@H] (C (=O) O[C@H] (C) C (=O) O) NC (=O) C
Molecular Formula
C8H13NO5
Molecular Weight
203.19 g/mol
Controlled
No

Chemical Information

Ac-d-ala-d-lactic acid
CAS Number136577-05-4
PubChem CID7020803
IUPAC Name(2R)-2-[(2R)-2-acetamidopropanoyl]oxypropanoic acid
Molecular FormulaC8H13NO5
Molecular Weight203.19
XLogP-0.1
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity250
SMILES
C[C@H](C(=O)O[C@H](C)C(=O)O)NC(=O)C
InChI
InChI=1S/C8H13NO5/c1-4(9-6(3)10)8(13)14-5(2)7(11)12/h4-5H,1-3H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1
InChIKey
FIQRMBHOTDMNOQ-RFZPGFLSSA-N
Chemical Structure
2D Structure
2D structure of Ac-d-ala-d-lactic acid
CAS: 136577-05-4
CID: 7020803
Formula: C8H13NO5
MW: 203.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.19
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass203.07937252
Monoisotopic Mass203.07937252
Topological Polar Surface Area92.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity250
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