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LYS-006

CAT: 0498-bs-7025C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7025C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1799681-85-8
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
N[C@@H](CC(O)=O)CN1N=C(N=N1)C1C=CC(=CC=1)OC1=NC=C(Cl)C=C1F
Molecular Formula
C16 H14 Cl F N6 O3
Molecular Weight
392.77
InChI
InChI=1S/C16H14ClFN6O3/c17-10-5-13 (18) 16 (20-7-10) 27-12-3-1-9 (2-4-12) 15-21-23-24 (22-15) 8-11 (19) 6-14 (25) 26/h1-5,7,11H,6,8,19H2, (H,25,26) /t11-/m0/s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Lys006
CAS Number1799681-85-8
PubChem CID118166560
IUPAC Name(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
Molecular FormulaC16H14ClFN6O3
Molecular Weight392.77
XLogP-0.4
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
C1=CC(=CC=C1C2=NN(N=N2)C[C@H](CC(=O)O)N)OC3=C(C=C(C=N3)Cl)F
InChI
InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
InChIKey
ZEGMEJVULDALSH-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Lys006
CAS: 1799681-85-8
CID: 118166560
Formula: C16H14ClFN6O3
MW: 392.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.77
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass392.0799942
Monoisotopic Mass392.0799942
Topological Polar Surface Area129 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
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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