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L-Citrulline-d6

CAT: 0572-TRC-C535702-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C535702-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1331908-61-2
Synonyms
N5-(Aminocarbonyl)-L-ornithine-d6; Citrulline-d6; N5-Carbamoyl-L-ornithine-d6; NSC 27425-d6; Nδ-Carbamylornithine-d6; α-Amino-δ-ureidovaleric Acid-d6; δ-Ureidonorvaline-d6
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(NC(=O)N)C([2H])([2H])C([2H])([2H])[C@H](N)C(=O)O
Molecular Formula
C6 2H6 H7 N3 O3
Molecular Weight
181.22
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-/m0/s1/i1D2,2D2,3D2
Additionnal Information
IUPAC name: (2S)-2-amino-5-(carbamoylamino)-3,3,4,4,5,5-hexadeuteriopentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

L-Citrulline-d6
CAS Number1331908-61-2
PubChem CID46781035
IUPAC Name(2S)-2-amino-5-(carbamoylamino)-3,3,4,4,5,5-hexadeuteriopentanoic acid
Molecular FormulaC6H13N3O3
Molecular Weight181.22
XLogP-4.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity171
SMILES
[2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])NC(=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-/m0/s1/i1D2,2D2,3D2
InChIKey
RHGKLRLOHDJJDR-UJSKYATRSA-N
Chemical Structure
2D Structure
2D structure of L-Citrulline-d6
CAS: 1331908-61-2
CID: 46781035
Formula: C6H13N3O3
MW: 181.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.22
XLogP3-4.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass181.13335176
Monoisotopic Mass181.13335176
Topological Polar Surface Area118 Ų
Heavy Atom Count12
Formal Charge0
Complexity171
Isotope Atom Count6
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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