Boc-5-hydroxy-DL-tryptophan

CAT: 0024-sc-326400Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-326400Size:250 mg

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CAS Number

185525-63-7

Chemical Information

Boc-5-hydroxy-DL-tryptophan

CAS Number	185525-63-7
PubChem CID	22607515
IUPAC Name	3-(5-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C16H20N2O5
Molecular Weight	320.34
XLogP	1.6
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	448

SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C16H20N2O5/c1-16(2,3)23-15(22)18-13(14(20)21)6-9-8-17-12-5-4-10(19)7-11(9)12/h4-5,7-8,13,17,19H,6H2,1-3H3,(H,18,22)(H,20,21)

InChIKey

JELADEDZLOFFTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 185525-63-7

CID: 22607515

Formula: C16H20N2O5

MW: 320.34

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	320.34
XLogP3	1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	320.13722174
Monoisotopic Mass	320.13722174
Topological Polar Surface Area	112 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	448
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1011885	5-Hydroxy-DL-Tryptophan
OR452005-01	Boc-5-Bromo-DL-tryptophan
OR931877-01	Boc-5-Chloro-DL-tryptophan
TRC-B025480-1G	Boc-5-hydroxy-L-tryptophan
UYB23256-01	Boc-4-methyl-DL-tryptophan
OR452045-01	Boc-7-methyl-DL-tryptophan
265329-01	N-alpha-Boc-5-hydroxy-L-tryptophan
UYB19365-01	6-Chloro-N-Boc-DL-tryptophan
MBS9022360-01	N-Boc-7-methyl-DL-tryptophan
MBS9022383-01	N-Boc-6-methoxy-DL-tryptophan