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CAS No.: | 49720-39-0 |
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Name: | L-Arginine, phosphate (1:1) |
Molecular Structure: | |
Formula: | C6H14N4O2·H3O4P |
Molecular Weight: | 272.09 |
Synonyms: | N5-(Diaminomethylene)-L-ornithine phosphate (1:1);Arginine phosphate; |
Melting Point: | 175-180 °C |
Boiling Point: | 409.1 °C at 760 mmHg |
Flash Point: | 201.2 °C |
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The L-Arginine, phosphate (1:1), with the CAS registry number 49720-39-0, is also known as Arginine phosphate. This chemical's molecular formula is C6H14N4O2·H3O4P and molecular weight is 272.09. What's more, its systematic name is N5-(Diaminomethylene)-L-ornithine phosphate (1:1).
Physical properties of L-Arginine, phosphate (1:1) are: (1)ACD/LogP: -1.287; (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): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48.38 Å2; (13)Flash Point: 201.2 °C; (14)Enthalpy of Vaporization: 72.55 kJ/mol; (15)Boiling Point: 409.1 °C at 760 mmHg; (16)Vapour Pressure: 7.7E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)CCC/N=C(\N)N.O=P(O)(O)O
(2)Std. InChI: InChI=1S/C6H14N4O2.H3O4P/c7-4(5(11)12)2-1-3-10-6(8)9;1-5(2,3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);(H3,1,2,3,4)/t4-;/m0./s1
(3)Std. InChIKey: ZVKDKTDLBDCNNS-WCCKRBBISA-N