CAS No.102282-28-0,C4:0 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102282-28-0
Name:	C4:0

Formula:	C₂₅H₄₂N₇O₁₇P₃S.3Li
Molecular Weight:	858.42
Synonyms:	Trilithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-butanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate;Adenosine, 5'-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxobutyl)thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate), lithium salt (1:3);Butyryl Coenzyme A lithium salt;
Solubility:	Water: 50 mg/mL
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	429.19000
LogP:	2.09870

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Specification

The Coenzyme A,S-butanoate, trilithium salt (9CI) with CAS registry number of 102282-28-0 is also known as Butyryl Coenzyme A lithium salt. The systematic name is Trilithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-butanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate. It belongs to product categories of Acyl Transfer ReagentsSaturated fatty acids and derivatives; Cofactors; Enzymes, Inhibitors, and Substrates; Esters; Fatty acyl CoAsMetabolic Pathways; Lipid Library; LipidMetabolomics; Metabolic Libraries; Metabolites and Cofactors on the Metabolic Pathways Chart. In addition, the formula is C₂₅H₄₂N₇O₁₇P₃S.3Li and the molecular weight is 858.42.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: [Li+].[Li+].[Li+].CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O
2. InChI: InChI=1/C25H42N7O17P3S.3Li/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;/q;3*+1/p-3/t14-,18-,19-,20+,24-;;;/m1.../s1
3. InChIKey: SSSSPMGDEUHRDN-QFWODDIGBT
4. Std. InChI: InChI=1S/C25H42N7O17P3S.3Li/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;/q;3*+1/p-3/t14-,18-,19-,20+,24-;;;/m1.../s1
5. Std. InChIKey: SSSSPMGDEUHRDN-WSRMJXCZSA-K