1,5-Anhydro-d-mannitol
PubChem CID: 445184
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| Compound Synonyms | 1,5-Anhydro-d-mannitol, 492-93-3, Styracitol, 1,5-Anhydro-mannitol, 1,5-Anhydromannitol, Styracit, (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol, 2,6-Anhydro-D-mannitol, UNII-6V415COZ8I, 6V415COZ8I, D-Mannitol, 1,5-anhydro-, STYRACITOL, (-)-, 1-deoxy-alpha-D-mannopyranose, CHEBI:49182, 1-5-ANHYDRO-D-MANNITOLCRYSTALLINE, AH2, D-1,5-anhydro-Mannitol, SCHEMBL2282745, CHEMBL3800290, MPCAJMNYNOGXPB-KVTDHHQDSA-N, DTXSID701314215, HY-N9911, MFCD00067387, AKOS006274375, MA06625, DA-59814, CS-0204027, F87624, Q27121518, (-)-(2R,3S,4R,5R)-2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol, 1,5-Anhydromannitol, 1-deoxy-alpha-D-mannose, 1-deoxy-D-mannose, 1-deoxy-mannose |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OC[C@H]OC[C@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O5 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | MPCAJMNYNOGXPB-KVTDHHQDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | styracitol |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC |
| Compound Name | 1,5-Anhydro-d-mannitol |
| Exact Mass | 164.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 164.16 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Smiles | C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Styrax Officinalis (Plant) Rel Props:Reference:ISBN:9788185042084