Citrulline malate supplier | CasNO.54940-97-5

Name
L-Citrulline DL-Malate 2:1
EINECS
CAS No. 54940-97-5
Density 1.289 g/cm3
Solubility
Melting Point
Formula C₁₀H₁₉N₃O₈
Boiling Point 601.7 °C at 760 mmHg
Molecular Weight 309.27
Flash Point 317.7 °C
Transport Information
Appearance white crystal or crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms l-citrulline dl-malate;Citrulline malate (salt);L-Ornithine, N5-(aminocarbonyl)-, mono(+-)-hydroxybutanedioate;(2S)-2-amino-5-(carbamoylamino)pentanoic acid; 2-hydroxybutanedioic acid;
PSA 213.27000
LogP -0.45510

Citrulline malate Specification

The IUPAC name of L-Citrulline DL-malate (1:1) is (2S)-2-amino-5-(carbamoylamino)pentanoic acid; 2-hydroxybutanedioic acid. With the CAS registry number 54940-97-5, it is also named as L-Ornithine, N5-(aminocarbonyl)-, mono(+-)-hydroxybutanedioate. The product's categories are Amino Acids; Nutritional Supplements. It is an anti-fatigue cpd. In addition, its molecular formula is C₁₀H₁₉N₃O₈ and molecular weight is 309.27316.

The other characteristics of L-Citrulline DL-malate (1:1) can be summarized as: (1)H-Bond Donor: 7; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 8; (4)Tautomer Count: 3; (5)Exact Mass: 309.117215; (6)MonoIsotopic Mass: 309.117215; (7)Topological Polar Surface Area: 213; (8)Heavy Atom Count: 21; (9)Formal Charge: 0; (10)Complexity: 300; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 1; (13)Undefined Atom StereoCenter Count: 1; (14)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure.
1. Smiles:C(=O)(O)[C@@H](N)CCCNC(=O)N.OC([C@@H](CC(=O)O)O)=O
2. InChI:InChI=1/C6H13N3O3.C4H6O5/c7-4(5(10)11)2-1-3-9-6(8)12;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);2,5H,1H2,(H,6,7)(H,8,9)/t4-;/m0./s1

Product Name

L-Citrulline DL-Malate 2:1

Citrulline malate Specification

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