Z-His-OH

CAT: 0607-BA9508-25000Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA9508-25000Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

14997-58-1

Form

A solid

Molecular Formula

C14H15N3O4

Molecular Weight

289.29

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-((Phenylmethoxy)carbonyl)-L-histidine

CAS Number	14997-58-1
PubChem CID	736313
IUPAC Name	(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula	C14H15N3O4
Molecular Weight	289.29
XLogP	1.2
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	358

SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)/t12-/m0/s1

InChIKey

WCOJOHPAKJFUDF-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 14997-58-1

CID: 736313

Formula: C14H15N3O4

MW: 289.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.29
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	289.10625597
Monoisotopic Mass	289.10625597
Topological Polar Surface Area	104 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	358
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