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Fmoc-β-Ala-OPfp

CAT: 0024-sc-285690Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-285690Size:1 g
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CAS Number
149303-38-8

Chemical Information

Fmoc-beta-ala-opfp
CAS Number149303-38-8
PubChem CID11363567
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
Molecular FormulaC24H16F5NO4
Molecular Weight477.4
XLogP4.9
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity691
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC(=O)OC4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C24H16F5NO4/c25-18-19(26)21(28)23(22(29)20(18)27)34-17(31)9-10-30-24(32)33-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,30,32)
InChIKey
HKRARRDDNQDLOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-beta-ala-opfp
CAS: 149303-38-8
CID: 11363567
Formula: C24H16F5NO4
MW: 477.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight477.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass477.09994880
Monoisotopic Mass477.09994880
Topological Polar Surface Area64.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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