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H-Asp (Ala-OH) -OH

CAT: 0121-4001437.0250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0121-4001437.0250Size:250 mg
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CAS Number
13110-25-3
Specifications
G-1560.0250
Synonyms
H-β-Asp-Ala-OH
Sequence
H-Asp (Ala-OH) -OH
Molecular Formula
C₇H₁₂N₂O₅
Molecular Weight
204.18
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

beta-Aspartylalanine

structure given in first source; RN given refers to the (L)-isomer; cpd without isomer designation not available 4/88

CAS Number13110-25-3
PubChem CID5488226
IUPAC Name(2S)-2-amino-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
Molecular FormulaC7H12N2O5
Molecular Weight204.18
XLogP-4.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity252
SMILES
C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1
InChIKey
ARSVRKCVNFIICJ-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of beta-Aspartylalanine
CAS: 13110-25-3
CID: 5488226
Formula: C7H12N2O5
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP3-4.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass204.07462149
Monoisotopic Mass204.07462149
Topological Polar Surface Area130 Ų
Heavy Atom Count14
Formal Charge0
Complexity252
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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