myo-Inositol, copper(2+) salt (1:6)
PubChem CID: 54607789
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| Compound Synonyms | NSC402433, NSC-402433, myo-Inositol, copper(2+) salt (1:6) |
|---|---|
| Topological Polar Surface Area | 401.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 818.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | copper, (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate |
| Prediction Hob | 0.0 |
| Molecular Formula | C6H18CuO24P6+2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ARWMRCBCVDYYON-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.039 |
| Rotatable Bond Count | 12.0 |
| Logd | -1.425 |
| Compound Name | myo-Inositol, copper(2+) salt (1:6) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 722.791 |
| Formal Charge | 2.0 |
| Monoisotopic Mass | 722.791 |
| Hydrogen Bond Acceptor Count | 24.0 |
| Molecular Weight | 723.58 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C6H18O24P6.Cu/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15, /h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24), /q, +2 |
| Smiles | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[Cu+2] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Physostigma Venenosum (Plant) Rel Props:Source_db:cmaup_ingredients