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Lipoamide B

CAT: 0013-GTR19277994-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277994-01Size:1 mg
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Description
Lipoamide B is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
1173985-69-7
Smiles
CC (C) CCCCCCCCC (=O) N[C@@H] (CC (N) =O) C (O) =O
Molecular Formula
C16H30N2O4
Molecular Weight
314.43
Notes
For research use only.

Chemical Information

Lipoamide B

Lipoamide B is an asparagine derivative.

CAS Number1173985-69-7
PubChem CID54581177
IUPAC Name(2S)-4-amino-2-(10-methylundecanoylamino)-4-oxobutanoic acid
Molecular FormulaC16H30N2O4
Molecular Weight314.42
XLogP2.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count22
Formal Charge0
Complexity356
SMILES
CC(C)CCCCCCCCC(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C16H30N2O4/c1-12(2)9-7-5-3-4-6-8-10-15(20)18-13(16(21)22)11-14(17)19/h12-13H,3-11H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)/t13-/m0/s1
InChIKey
HAIPUHCLABEHHT-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Lipoamide B
CAS: 1173985-69-7
CID: 54581177
Formula: C16H30N2O4
MW: 314.42
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.42
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass314.22055744
Monoisotopic Mass314.22055744
Topological Polar Surface Area109 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
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