9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-4-hydroxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine

HCID 3083265

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基本情報

CAS: 137374-53-9
標準SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)C(=O)O
InChIKey: LTHKYRZAVRCUOF-RMNRSTNRSA-N
分子式: C26H42N7O20P3S
平均分子量: 897.64 g/mol
単同位体質量: 897.14181763

優先名称: 9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-4-hydroxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
IUPAC: 5'-O-[({[(3R)-4-{[3-({2-[(4-Carboxy-4-hydroxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)

読み込み中…

CAS: 137374-53-9
標準SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)C(=O)O
InChIKey: LTHKYRZAVRCUOF-RMNRSTNRSA-N
分子式: C26H42N7O20P3S
平均分子量: 897.64 g/mol
単同位体質量: 897.14181763

優先名称: 9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-4-hydroxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
IUPAC: 5'-O-[({[(3R)-4-{[3-({2-[(4-Carboxy-4-hydroxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)

読み込み中…