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L-alpha-Aminosuberic Acid

CAT: 0572-TRC-A619075-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A619075-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4254-88-0
Hazard Statement
No Data Available
Smiles
N[C@@H](CCCCCC(=O)O)C(=O)O
Molecular Formula
C8 H15 N O4
Molecular Weight
189.209
InChI
InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-aminooctanedioic acid
Shipping Conditions
Room Temperature

Chemical Information

(S)-2-Aminooctanedioic acid
CAS Number4254-88-0
PubChem CID7009575
IUPAC Name(2S)-2-aminooctanedioic acid
Molecular FormulaC8H15NO4
Molecular Weight189.21
XLogP-2.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
C(CC[C@@H](C(=O)O)N)CCC(=O)O
InChI
InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey
YOFPFYYTUIARDI-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Aminooctanedioic acid
CAS: 4254-88-0
CID: 7009575
Formula: C8H15NO4
MW: 189.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.21
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass189.10010796
Monoisotopic Mass189.10010796
Topological Polar Surface Area101 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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