CTK8E9370
group of stereoisomers with the chemical formula C₃₉H₄₇N₄O₈P
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CTK8E9370
Summary
CTK8E9370 is a group of stereoisomers[1].
Key Facts
- CTK8E9370's instance of is recorded as group of stereoisomers[2].
- CTK8E9370's CAS Registry Number is recorded as 289712-98-7[3].
- CTK8E9370's canonical SMILES is recorded as COc1ccc(C(OCC2OC(n3ccc(O)nc3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1[4].
- CTK8E9370's InChI is recorded as InChI=1S/C39H47N4O8P/c1-27(2)43(28(3)4)52(49-24-10-22-40)51-34-25-37(42-23-21-36(44)41-38(42)45)50-35(34)26-48-39(29-11-8-7-9-12-29,30-13-17-32(46-5)18-14-30)31-15-19-33(47-6)20-16-31/h7-9,11-21,23,27-28,34-35,37H,10,24-26H2,1-6H3,(H,41,44,45)/t34-,35+,37+,52?/m0/s1[5].
- CTK8E9370's InChIKey is recorded as ZGJUDTLSWZPIDW-MVFNBKNKSA-N[6].
- CTK8E9370's chemical formula is recorded as C₃₉H₄₇N₄O₈P[7].
- CTK8E9370's subclass of is recorded as chemical compound[8].
- CTK8E9370's PubChem CID is recorded as 11061591[9].
- CTK8E9370's isomeric SMILES is recorded as COc1ccc(C(OC[C@H]2OC@@HC[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1C@@HC[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1">[10].
- CTK8E9370's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+730.313151094'}[11].
- CTK8E9370's SureChEMBL ID is recorded as 30820589[12].
- CTK8E9370's DSSTox substance ID is recorded as DTXSID80453691[13].
- CTK8E9370's DSSTOX compound identifier is recorded as DTXCID10404510[14].
- CTK8E9370's UniChem compound ID is recorded as 24597925[15].
- CTK8E9370's Probes And Drugs ID is recorded as PD157440[16].