H-D-Orn (Boc) -OH

CAT: 0127-OR1039377-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1039377-01Size:5 g

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CAS Number

184576-63-4

MDL Number

MFCD00237206

Purity

96%

Smiles

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

Chemical Information

H-D-Orn(boc)-OH

CAS Number	184576-63-4
PubChem CID	7019760
IUPAC Name	(2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular Formula	C10H20N2O4
Molecular Weight	232.28
XLogP	-2.3
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	248

SMILES

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

InChI

InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-6-4-5-7(11)8(13)14/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m1/s1

InChIKey

GLZZMUULAVZVTA-SSDOTTSWSA-N

Chemical Structure

2D Structure

CAS: 184576-63-4

CID: 7019760

Formula: C10H20N2O4

MW: 232.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.28
XLogP3	-2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	232.14230712
Monoisotopic Mass	232.14230712
Topological Polar Surface Area	102 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248
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