D-Threitol
PubChem CID: 169019
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| Compound Synonyms | D-Threitol, Threitol, 2418-52-2, (2R,3R)-butane-1,2,3,4-tetrol, D-threo-tetritol, Threitol, D-, (2R,3R)-1,2,3,4-Butanetetrol, 7493-90-5, dl-Threitol, Threit, UNII-6DN82XBT5M, 6DN82XBT5M, (-)-Threitol, 1,2,3,4-Butanetetrol, (2R,3R)-, CHEBI:48300, 1,2,3,4-Butanetetrol, (R-(R*,R*))-, 1,2,3,4-Butanetetrol, [R-(R*,R*)]-, DTXSID801016717, MFCD00067036, 1,2,3,4-Butanetetrol, (R*,R*)-, rel-(2R,3R)-butane-1,2,3,4-tetraol, DL-1,2,3,4-Butanetetrol, threo-tetritol, ((2R,3R)-2,3,4-tribenzoyloxybutyl) benzoate, [(2R,3R)-2,3,4-tribenzoyloxybutyl] benzoate, (2R,3R)-butane-1,2,3,4-tetraol, D-Threitol, 99%, DL-Threitol, 97%, THREITOL [INCI], 1,2,3,4Butanetetrol, Epitope ID:114709, SCHEMBL17766, CHEBI:26981, UNXHWFMMPAWVPI-QWWZWVQMSA-N, DTXCID201474903, DTXSID801336604, (R*,R*)-1,2,3,4-Butanetetrol, 1,2,3,4Butanetetrol, (R*,R*), AKOS027320419, CS-W013562, FT76625, HY-W012846, MT03950, AS-61771, rel-(2R,3R)-butane-1,2,3,4-tetrol, DB-009731, C16884, F85623, A817134, Q415347, D-Threitol, >=98.0% (sum of enantiomers, TLC), 082CB5C6-FE44-4BE0-BEE0-8575D840C94A, 3VB |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | OC[C@H][C@@H]CO))O))O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-butane-1,2,3,4-tetrol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.3 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UNXHWFMMPAWVPI-QWWZWVQMSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.27 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -2.25 |
| Synonyms | D-Threo-tetritol, (-)-Threitol, (R*,r*)-1,2,3,4-butanetetrol, Threit, Threitol, Threitol, ((r*,r*)-(+-))-isomer, Threitol, (R-(r*,r*))-isomer, 1,2,3,4-Tetrahydroxybutane, d-threitol, threitol |
| Esol Class | Highly soluble |
| Functional Groups | CO |
| Compound Name | D-Threitol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 122.12 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 1.0435560000000004 |
| Inchi | InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1 |
| Smiles | C([C@H]([C@@H](CO)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Sugar alcohols |
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FOUND_INto/from Ambroma Augusta (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Anethum Sowa (Plant) Rel Props:Reference:ISBN:9788171360536 - 4. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Astilbe Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Boronia Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cassia Carnaval (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Colchicum Macedonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
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FOUND_INto/from Hypericum Papuanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
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FOUND_INto/from Kaunia Arbuscularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
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FOUND_INto/from Oxandra Xylopioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Palicourea Alpina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Persicaria Thunbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
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FOUND_INto/from Posoqueria Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Salix Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
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FOUND_INto/from Solanum Torvum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
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