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Fmoc-Nle-OPfp

CAT: 0024-sc-319878ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-319878ASize:5 g
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CAS Number
121593-77-9

Chemical Information

(S)-Perfluorophenyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoate
CAS Number121593-77-9
PubChem CID16213168
IUPAC Name(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
Molecular FormulaC27H22F5NO4
Molecular Weight519.5
XLogP6.9
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity752
SMILES
CCCC[C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H22F5NO4/c1-2-3-12-19(26(34)37-25-23(31)21(29)20(28)22(30)24(25)32)33-27(35)36-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,33,35)/t19-/m0/s1
InChIKey
PPORTZOERPWAMY-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-Perfluorophenyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoate
CAS: 121593-77-9
CID: 16213168
Formula: C27H22F5NO4
MW: 519.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.5
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass519.14689899
Monoisotopic Mass519.14689899
Topological Polar Surface Area64.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity752
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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