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(S) -3-Aminohexanedioic acid

CAT: 0127-OR1038238Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1038238Size:250 mg
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CAS Number
32908-48-8
MDL Number
MFCD17215410
Purity
95%
Smiles
OC(CC[C@H](N)CC(O)=O)=O

Chemical Information

(S)-3-Aminoadipic acid

(S)-3-aminoadipic acid is an optically active form of 3-aminoadipic acid having (S)-configuration.

CAS Number32908-48-8
PubChem CID2761516
IUPAC Name(3S)-3-aminohexanedioic acid
Molecular FormulaC6H11NO4
Molecular Weight161.16
XLogP-3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity157
SMILES
C(CC(=O)O)[C@@H](CC(=O)O)N
InChI
InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey
XABCFXXGZPWJQP-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-Aminoadipic acid
CAS: 32908-48-8
CID: 2761516
Formula: C6H11NO4
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP3-3.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass161.06880783
Monoisotopic Mass161.06880783
Topological Polar Surface Area101 Ų
Heavy Atom Count11
Formal Charge0
Complexity157
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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