CAS No.93964-77-3,L-arginine L-malate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	93964-77-3
Name:	L-arginine L-malate

Formula:	C₁₀H₂₀N₄O₇
Molecular Weight:	308.29
Synonyms:	Butanedioicacid, hydroxy-, (S)-, compd. with L-arginine (1:1) (9CI);
EINECS:	300-924-7
Boiling Point:	409.1 °C at 760 mmHg
Flash Point:	201.2 °C
PSA:	220.05000
LogP:	-0.54060

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Specification

The L-Arginine L-malate, with CAS registry number 93964-77-3, has the systematic name of N⁵-(diaminomethylidene)-L-ornithine - 2-hydroxybutanedioic acid (1:1). And its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-hydroxybutanedioic acid. And the chemical formula of this chemical is C₁₀H₂₀N₄O_7.What's more, its EINECS is 300-924-7.

Physical properties of L-Arginine L-malate: (1)ACD/LogP: -1.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.79; (4)ACD/LogD (pH 7.4): -4.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48.38 Å²; (13)Enthalpy of Vaporization: 72.55 kJ/mol; (14)Vapour Pressure: 7.7E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(O)C(=O)O.O=C(O)[C@@H](N)CCC/N=C(\N)N
(2)InChI: InChI=1/C6H14N4O2.C4H6O5/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2,5H,1H2,(H,6,7)(H,8,9)/t4-;/m0./s1
(3)InChIKey: RUFJTBOKWJYXPM-WCCKRBBIBJ
(4)Std. InChI: InChI=1S/C6H14N4O2.C4H6O5/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2,5H,1H2,(H,6,7)(H,8,9)/t4-;/m0./s1
(5)Std. InChIKey: RUFJTBOKWJYXPM-WCCKRBBISA-N