Histidine | SSHADE

Molecule

Name: Histidine

Name and identifiers

IUPAC name: DL-Histidine
Secondary names: 2-Amino-3-(1H-imidazol-4-yl)propanoic acid, 2-Amino-3-(1H-imidazol-5-yl)propanoic acid, H-DL-His-OH
InChI: InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
InChI key: HNDVDQJCIGZPNO-UHFFFAOYSA-N
CAS number: 4998-57-6

Structure and atomic composition

Formula: $(CNCHNHCH)_{cycl}CH_2CH(NH_2)COOH$
Chemical formula: C6H9N3O2
Structural formula: C1=[CH]([NH][CH]=N1)[CH2][CH](C(=O)[OH])[NH2]
Charge: 0

	Atom	Name	Number
	$C$	Carbon	6
	$H$	Hydrogen	9
	$O$	Oxygen	2
	$N$	Nitrogen	3

Relations

enantiomer

Isotopic composition

Isotope mixture type: terrestrial abundance

Nuclear spin isomers

Spin type: equilibrated

Molar mass: 155.15 $g/mol$
State STP: solid
State NTP: solid
Protic: protic
Polarity: polar

Fundamental vibration modes

Molecule symmetry: unknown
Case: nonlinear-polyatomic

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-NH_2$	1
	$R-C(=O)-OH$	1
	$R-(C=CH-NH-CH=N-) cycl$	1

Chemical bonds

	Bond	Number
	$\geq C-H$	5
	$-O-H$	1
	$>N-H$	3
	$\geq C-C \leq$	1
	$\eqslantgtr C-C\leq$	2
	$>C=C<$	1
	$\geq C-N<$	1
	$\eqslantgtr C-N<$	3
	$>C=N-$	1
	$>C=O$	1
	$\eqslantgtr C-O-$	1