H-D-Cit-Oh

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CAS Number

13594-51-9

MDL Number

MFCD00216469

Purity

98%

Smiles

N[C@H](CCCNC(=O)N)C(=O)O

Chemical Information

(2R)-2-amino-5-(carbamoylamino)pentanoic acid

D-citrulline is a citrulline. It is an enantiomer of a L-citrulline.

CAS Number	13594-51-9
PubChem CID	637599
IUPAC Name	(2R)-2-amino-5-(carbamoylamino)pentanoic acid
Molecular Formula	C6H13N3O3
Molecular Weight	175.19
XLogP	-4.3
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	171

SMILES

C(C[C@H](C(=O)O)N)CNC(=O)N

InChI

InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1

InChIKey

RHGKLRLOHDJJDR-SCSAIBSYSA-N

Chemical Structure

2D Structure

CAS: 13594-51-9

CID: 637599

Formula: C6H13N3O3

MW: 175.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.19
XLogP3	-4.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	175.09569129
Monoisotopic Mass	175.09569129
Topological Polar Surface Area	118 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
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