{[5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-2-({[HYDROXY({HYDROXY[3-HYDROXY-2,2-DIMETHYL-3-({2-[(2-SULFANYLETHYL)CARBAMOYL]ETHYL}CARBAMOYL)PROPOXY]PHOSPHORYL}OXY)PHOSPHORYL]OXY}METHYL)OXOLAN-3-YL]OXY}PHOSPHONIC ACID | CAS 85-61-0

Catalog Id:
MM85610

IUPAC:
COENZYMEA

CAS Number:
85-61-0

Molecular Weight:
767.53

Formula:
C21H36N7O16P3S

SMILES:
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS

Preferred IUPAC Name:
{[5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-2-({[HYDROXY({HYDROXY[3-HYDROXY-2,2-DIMETHYL-3-({2-[(2-SULFANYLETHYL)CARBAMOYL]ETHYL}CARBAMOYL)PROPOXY]PHOSPHORYL}OXY)PHOSPHORYL]OXY}METHYL)OXOLAN-3-YL]OXY}PHOSPHONIC ACID

InChIKey:
InChIKey=RGJOEKWQDUBAIZ-UHFFFAOYNA-N

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Alcohols, Secondary Alcohols, Amines, Aromatic Cyclic Structures, Amides, Thioles, Primary Amines, Anilines, Aromatic Primary Amines, Imidazoles