Cyclic ADP-ribose
HIT212666946
sdf文件结构编辑类似物检索
HIT ID: HIT212666946
Cas No: 119340-53-3
分子式: C15H21N5O13P2
分子量: 541.303
常用名: Cyclic ADP-ribose
氢键受体数 (HBA): 14
氢键供体数 (HBD): 7
LogP: -4.458395
IUPAC: (2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.1^{2,5}.1^{13,16}.0^{17,21}]hexacosa-18,20,22-triene-8,10-dione
IUPAC: (2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.1^{2,5}.1^{13,16}.0^{17,21}]hexacosa-18,20,22-triene-8,10-dione
SMILES: [H][C@]12COP(O)(=O)OP(O)(=O)OC[C@@]3([H])O[C@]([H])([C@H](O)[C@@H]3O)n3cnc4n(cnc4c3=N)[C@]([H])(O1)[C@H](O)[C@@H]2O
SMILES: [H][C@]12COP(O)(=O)OP(O)(=O)OC[C@@]3([H])O[C@]([H])([C@H](O)[C@@H]3O)n3cnc4n(cnc4c3=N)[C@]([H])(O1)[C@H](O)[C@@H]2O
InChI key: BQOHYSXSASDCEA-JDDYZZJWSA-N
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