(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
PubChem CID: 19233
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| Compound Synonyms | 3615-41-6, (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal, aldehydo-L-rhamnose, Rhamnose, L-, FEMA No. 3730, QN34XC755A, CHEBI:16055, alpha-L-Rhamnoside, Rhamnose (VAN), 118214-04-3, RNS, NSC-2056, (L)-rhamnose, 6-deoxy L-mannose, RHAMNOSE [MI], Epitope ID:141798, L-RHAMNOSE [FHFI], RHAMNOSE [WHO-DD], SCHEMBL25050, HY-N1420, MFCD00136036, AKOS006281392, AKOS015840145, CS-W019751, DB02961, DS-15421, R0013, EN300-343244, Q414109, C01773FD-F731-4717-A3A9-F9DEC1D61326 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal |
| Prediction Hob | 1.0 |
| Xlogp | -2.4 |
| Molecular Formula | C6H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PNNNRSAQSRJVSB-BXKVDMCESA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.015 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.995 |
| Compound Name | (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9056265999999997 |
| Inchi | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1 |
| Smiles | C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Linum Album (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Linum Catharticum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Linum Crispum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Linum Perenne (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all