Boc-Asp (OcHx) -OH

CAT: 0024-sc-234131Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234131Size:5 g

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CAS Number

73821-95-1

Chemical Information

Boc-Asp(OcHx)-OH

CAS Number	73821-95-1
PubChem CID	7009416
IUPAC Name	(2S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Molecular Formula	C15H25NO6
Molecular Weight	315.36
XLogP	2.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	409

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)O

InChI

InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m0/s1

InChIKey

NLPQIWFEEKQBBN-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 73821-95-1

CID: 7009416

Formula: C15H25NO6

MW: 315.36

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	315.36
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	315.16818752
Monoisotopic Mass	315.16818752
Topological Polar Surface Area	102 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	409
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