(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal
PubChem CID: 3034366
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| Compound Synonyms | (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal, aldehydo-D-glucosamine, 2-amino-2-deoxy-aldehydo-D-glucose, GLUCOSAMINE [MI], GLUCOSAMINE [INN], GLUCOSAMINE [HSDB], GLUCOSAMINE [USAN], GLUCOSAMINE [VANDF], SCHEMBL3264, GLUCOSAMINE [WHO-DD], CHEBI:20993, HY-B1125, D-Glucopyranose, 2-amino-2-deoxy-, s6400, AKOS006277059, CS-4722, AS-75582, GLUCOPYRANOSE, 2-AMINO-2-DEOXY-, D-, EN300-157415, 35110-26-0 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal |
| Prediction Hob | 1.0 |
| Xlogp | -3.7 |
| Molecular Formula | C6H13NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZHXIRIBWMQPQF-SLPGGIOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.073 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.22 |
| Compound Name | (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 179.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.6975840000000002 |
| Inchi | InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6+/m0/s1 |
| Smiles | C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agathosma Scaberula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Balanophora Harlandii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Biglandulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lupinus Cosentinii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Polemonium Caeruleum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Strychnos Ledermannii (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Viburnum Davidii (Plant) Rel Props:Source_db:cmaup_ingredients