Boc-Asp-OH 1000mg

CAT: 0628-A23079-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23079-1000Size:1000 mg

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CAS Number

13726-67-5

Chemical Information

N-(tert-butoxycarbonyl)-L-aspartic acid

Nalpha-(tert-butoxycarbonyl)-l-aspartic acid is an aspartic acid derivative.

CAS Number	13726-67-5
PubChem CID	99718
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
Molecular Formula	C9H15NO6
Molecular Weight	233.22
XLogP	0.1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	293

SMILES

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

InChI

InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1

InChIKey

KAJBMCZQVSQJDE-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 13726-67-5

CID: 99718

Formula: C9H15NO6

MW: 233.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.22
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	233.08993720
Monoisotopic Mass	233.08993720
Topological Polar Surface Area	113 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	293
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