BOC-L-Aspargine extrapure, 99%

CAT: 0565-67012-01Size: 10 gDry Ice: NoHazardous: No

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Description

Part B

CAS Number

7536-55-2

Storage Temperature

0 - 4°C

Chemical Information

N2-((tert-Butoxy)carbonyl)-L-asparagine

N(alpha)-t-butoxycarbonyl-L-asparagine is the Nalpha-t-butoxycarbonyl derivative of L-asparagine.

CAS Number	7536-55-2
PubChem CID	82035
IUPAC Name	(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Molecular Formula	C9H16N2O5
Molecular Weight	232.23
XLogP	-0.6
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	295

SMILES

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

InChI

InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1

InChIKey

FYYSQDHBALBGHX-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 7536-55-2

CID: 82035

Formula: C9H16N2O5

MW: 232.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.23
XLogP3	-0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	232.10592162
Monoisotopic Mass	232.10592162
Topological Polar Surface Area	119 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	295
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

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