6-Methoxycyclohexane-1,2,3,4,5-pentol
PubChem CID: 230881
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-methoxycyclohexane-1,2,3,4,5-pentol, 60537-25-9, MLS002639102, NSC26254, NSC43336, Sennitol, Sennit, 6-methoxycyclohexane-1,2,3,4,5-pentaol, NSC-131046, 1-O-Methylinositol, Oprea1_249757, Pinite (inositol derivative), SCHEMBL24537, CHEMBL171890, SCHEMBL23720629, BCP18100, BCP22844, NSC128700, NSC131046, NSC231332, AKOS024283476, AKOS037643351, NSC-231332, NCGC00095666-01, AS-15082, LS-13354, SMR001548553, SY069793, DB-052118, DB-229568, P2219, A800629, Q3915149, 5-O-Methyl-myo-inositol, 1D-5-O-Methyl-myo-inositol, (1r,2s,3s,4s,5s,6r)-6-methoxycyclohexane-1,2,3,4,5-pentaol, 3-O-Methyl-D-chiro-inositol pound>>Pinitol pound>>D-(+)-Pinitol, 3-O-METHYL-D-CHIRO-INOSITOL, (1R,2S,3R,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentaol, 7586-49-4 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y253, P07378, O75496 |
| Iupac Name | 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-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.195 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.815 |
| Compound Name | 6-Methoxycyclohexane-1,2,3,4,5-pentol |
| 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 | 1.0191653999999997 |
| Inchi | InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 |
| Smiles | COC1C(C(C(C(C1O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ailanthus Altissima (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Astragalus Mongholicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Hevea Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Onychium Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Quassia Amara (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all