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Arg-Gly-Asp TFA salt

CAT: 0926-FA175085-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FA175085-01Size:25 mg
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CAS Number
2378808-45-6
Smiles
C (CC (C (=O) NCC (=O) NC (CC (=O) O) C (=O) O) N) CN=C (N) N.C (=O) (C (F) (F) F) O
Molecular Formula
C12H22N6O6·C2HF3O2
Molecular Weight
460.36 g/mol
Controlled
No

Chemical Information

RGD Trifluoroacetate
CAS Number2378808-45-6
PubChem CID132472231
IUPAC Name(2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC14H23F3N6O8
Molecular Weight460.36
Topological Polar Surface Area261
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity588
SMILES
C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)N)CN=C(N)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C12H22N6O6.C2HF3O2/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21;3-2(4,5)1(6)7/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16);(H,6,7)/t6-,7-;/m0./s1
InChIKey
FBPDETPEHPAQDC-LEUCUCNGSA-N
Chemical Structure
2D Structure
2D structure of RGD Trifluoroacetate
CAS: 2378808-45-6
CID: 132472231
Formula: C14H23F3N6O8
MW: 460.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight460.36
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass460.15294620
Monoisotopic Mass460.15294620
Topological Polar Surface Area261 Ų
Heavy Atom Count31
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes