5A3
Methylenebisphosphonate inositol pentakisphosphate
Find entries where: 5A3
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
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Name | Methylenebisphosphonate inositol pentakisphosphate |
Synonyms | {[(R)-hydroxy{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid |
Identifiers | [oxidanyl-[(2S,3R,5S,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid |
Formula | C7 H21 O26 P7 |
Molecular Weight | 738.042 |
Type | NON-POLYMER |
Isomeric SMILES | C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
InChI | InChI=1S/C7H21O26P7/c8-34(9,10)1-35(11,12)28-2-3(29-36(13,14)15)5(31-38(19,20)21)7(33-40(25,26)27)6(32-39(22,23)24)4(2)30-37(16,17)18/h2-7H,1H2,(H,11,12)(H2,8,9,10)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t2-,3-,4+,5+,6-,7+ |
InChIKey | IZNCMXVIYGYGJI-AQWRHFAGSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 61 |
Chiral Atom Count | 4 |
Bond Count | 61 |
Aromatic Bond Count | 0 |