Boc-D-Phe (4-NO2) -OH

CAT: 0024-sc-234153Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234153Size:5 g

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CAS Number

61280-75-9

Chemical Information

Boc-4-nitro-D-phenylalanine

CAS Number	61280-75-9
PubChem CID	2755957
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid
Molecular Formula	C14H18N2O6
Molecular Weight	310.30
XLogP	1.6
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	418

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1

InChIKey

XBQADBXCNQPHHY-LLVKDONJSA-N

Chemical Structure

2D Structure

CAS: 61280-75-9

CID: 2755957

Formula: C14H18N2O6

MW: 310.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.30
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	310.11648630
Monoisotopic Mass	310.11648630
Topological Polar Surface Area	121 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	418
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