Boc-D-FMK 50mg

CAT: 0628-A15392-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A15392-50Size:50 mg

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CAS Number

187389-53-3

Chemical Information

Methyl (3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-5-fluoro-4-oxopentanoate

See also: N-T-Boc-asp(ome)-fluoromethyl ketone (annotation moved to).

CAS Number	187389-53-3
PubChem CID	9881695
IUPAC Name	methyl (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
Molecular Formula	C11H18FNO5
Molecular Weight	263.26
XLogP	0.9
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	324

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)C(=O)CF

InChI

InChI=1S/C11H18FNO5/c1-11(2,3)18-10(16)13-7(8(14)6-12)5-9(15)17-4/h7H,5-6H2,1-4H3,(H,13,16)/t7-/m0/s1

InChIKey

MXOOUCRHWJYCAL-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 187389-53-3

CID: 9881695

Formula: C11H18FNO5

MW: 263.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.26
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	263.11690084
Monoisotopic Mass	263.11690084
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	324
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes