Methylmalonyl Coenzyme A, Free acid

3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid

CAS: 10251-08-8

Molecular Formula	`C25H40N7O19P3S`
Molecular Weight	867.6 g/mol
LogP	-5.4
Topological Polar Surface Area	426.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	24
Rotatable Bonds	22
Exact Mass	867.1312
Heavy Atoms	55
Complexity	1530.0

Chemical Identifiers

CAS Number	10251-08-8
SMILES	`CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O`
InChIKey	`MZFOKIKEPGUZEN-UHFFFAOYSA-N`

📖 Product Overview

Methylmalonyl Coenzyme A, Free acid (CAS: 10251-08-8) is a chemical compound with molecular formula C25H40N7O19P3S and molecular weight 867.6 g/mol. Its IUPAC systematic name is 3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid. LogP -5.4 Topological Polar Surface Area 426.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 24 Rotatable Bonds 22 Exact Mass 867.1312 Heavy Atoms 55 Complexity 1530.0 InChI Key: MZFOKIKEPGUZEN-UHFFFAOYSA-N. SMILES: CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.

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