bms-986094
chemical compound
Press Enter · cited answer in seconds
0 sources
bms-986094
Summary
bms-986094 is a group of stereoisomers[1].
Key Facts
- bms-986094's instance of is recorded as group of stereoisomers[2].
- bms-986094's CAS Registry Number is recorded as 1234490-83-5[3].
- bms-986094's canonical SMILES is recorded as CC(C(=O)OCC(C)(C)C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54[4].
- bms-986094's InChI is recorded as InChI=1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-13-9-11-18-10-7-8-12-19(18)20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,46?/m0/s1[5].
- bms-986094's InChIKey is recorded as YFXGICNMLCGLHJ-RSKRLRQZSA-N[6].
- bms-986094's chemical formula is recorded as C₃₀H₃₉N₆O₉P[7].
- bms-986094's subclass of is recorded as chemical compound[8].
- bms-986094's ChEMBL ID is recorded as CHEMBL1209734[9].
- bms-986094's UNII is recorded as 62F4AD749Y[10].
- bms-986094's ChemSpider ID is recorded as 25054861[11].
- bms-986094's PubChem CID is recorded as 46700744[12].
- bms-986094's DrugBank ID is recorded as DB11966[13].
- bms-986094's isomeric SMILES is recorded as CC@@HNP(=O)(OC[C@@H]1C@HO)OC4=CC=CC5=CC=CC=C54C@@HNP(=O)(OC[C@@H]1C@HO)OC4=CC=CC5=CC=CC=C54">[14].
- bms-986094's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+658.252'}[15].
- bms-986094's SureChEMBL ID is recorded as 29399332[16].
- bms-986094's SureChEMBL ID is recorded as 14934186[17].
- bms-986094's SureChEMBL ID is recorded as 31554843[18].
- bms-986094's DSSTox substance ID is recorded as DTXSID00154017[19].
- bms-986094's DSSTOX compound identifier is recorded as DTXCID4076508[20].
- bms-986094's UniChem compound ID is recorded as 647932[21].
- bms-986094's Probes And Drugs ID is recorded as PD058848[22].