19O
Summary
| Name: | Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate |
| Synonyms: | [(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid) |
| Formula: | C44 H36 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 722.701 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid) (non-preferred name) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)Cc1c9c(c(c3c1C4c2cc6c(cc2C3C4)C7c5ccccc5C6C7)CP(=O)(O)O)C%10c8cc%12c(cc8C9C%10)C%13c%11ccccc%11C%12C%13 |
| InChI | InChI | 1.03 | InChI=1S/C44H36O6P2/c45-51(46,47)17-39-41-35-15-36(32-12-28-24-9-23(27(28)11-31(32)35)19-5-1-2-6-20(19)24)42(41)40(18-52(48,49)50)44-38-16-37(43(39)44)33-13-29-25-10-26(30(29)14-34(33)38)22-8-4-3-7-21(22)25/h1-8,11-14,23-26,35-38H,9-10,15-18H2,(H2,45,46,47)(H2,48,49,50)/t23-,24+,25+,26-,35-,36+,37+,38- |
| InChIKey | InChI | 1.03 | UBHAUWHHYDSDPY-OFHRGMLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)Cc1c2[C@H]3C[C@H](c4cc5[C@@H]6C[C@@H](c7ccccc67)c5cc34)c2c(C[P](O)(O)=O)c8[C@H]9C[C@H](c%10cc%11[C@@H]%12C[C@@H](c%13ccccc%12%13)c%11cc9%10)c18 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)Cc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(C[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18 |
