5-O-methyl-myo-inositol
PubChem CID: 439990
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| Compound Synonyms | Sequoyitol, 5-O-Methyl-myo-inositol, 523-92-2, 1D-5-O-Methyl-myo-inositol, O-Methyl-scyllo-inositol, 1-O-Methyl-scyllo-inositol, myo-Inositol, 5-O-methyl-, (1R,2S,4R,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol, (1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol, EINECS 208-352-9, CHEBI:15975, (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol, (1R,2S,4R,5S)-6-Methoxycyclohexane-1,2,3,4,5-pentaol, 2-O-Methyl-myo-inositol, DTXSID301035423, myo-5-O-Methyl-inositol, Sequoyitol, 5-O-Methyl-myo-inositol, Sequoyit, bmse000740, CHEMBL460057, SCHEMBL1059036, SCHEMBL1888646, SCHEMBL7155914, CHEBI:179104, DSCFFEYYQKSRSV-MVWKSXLKSA-N, DTXCID501519798, DTXSID801313753, (+)-3-O-methyl-d-chiro-inositol, HY-N2421, s9343, AKOS006272498, CCG-266528, MM10128, AC-32615, MS-23046, CS-0022628, NS00121132, C03365, C05163, E80607, Q27098326, 6A797581-AC95-4A84-9F74-C05E5465011A, (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentaol, 208-352-9, 7600-53-5 |
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| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Description | Occurs in all gymnosperms and two families of dicotyledonsand is also isolated from ferns Nephrolepis auriculata and Nephrolepis biserrata. Sequoyitol is found in soy bean and ginkgo nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol |
| Prediction Hob | 0.0 |
| Xlogp | -3.2 |
| Molecular Formula | C7H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSCFFEYYQKSRSV-MVWKSXLKSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.087 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.879 |
| Synonyms | 1D-5-O-methyl-myo-inositol, Sequoyitol |
| Compound Name | 5-O-methyl-myo-inositol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0191653999999999 |
| Inchi | InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7? |
| Smiles | COC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amentotaxus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all