(4R)-6-methoxycyclohexane-1,2,3,4,5-pentol
PubChem CID: 6708691
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| Compound Synonyms | (4R)-6-methoxycyclohexane-1,2,3,4,5-pentol, Spectrum_001236, SpecPlus_000492, Spectrum2_001988, Spectrum3_001542, Spectrum4_001695, Spectrum5_000370, BSPBio_002984, KBioGR_001990, KBioSS_001716, DivK1c_006588, SPECTRUM1502261, SPBio_002175, KBio1_001532, KBio2_001716, KBio2_004284, KBio2_006852, KBio3_002484, CCG-39526, SDCCGMLS-0066663.P001, NCGC00178361-01, SR-05000002426, SR-05000002426-1 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-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-CIXXMWBBSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.047 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.722 |
| Compound Name | (4R)-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 | 1.0191653999999999 |
| 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?/m1/s1 |
| Smiles | COC1C([C@@H](C(C(C1O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients