D-Iditol
PubChem CID: 90540
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | D-Iditol, 25878-23-3, Iditol, (2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol, 24557-79-7, Iditol, D-, DL-Iditol, D-Idit, Iditol, DL-, BP8KW73WMG, 82FOM4R7CD, FIBRINOGEN, NSC-227898, EINECS 246-314-3, Fibrinogen (Bovine), MFCD09951922, UNII-BP8KW73WMG, UNII-82FOM4R7CD, SCHEMBL16549, CHEBI:17459, DTXSID401336595, DTXSID701336594, HMS3264A12, Pharmakon1600-01300043, NSC755896, AKOS027250777, CCG-230932, HY-W145584, MI07130, NSC 227898, NSC-755896, DA-63436, SBI-0206685.P002, DB-254430, CS-0214576, I0724, NS00083912, C01489, SBI-0206685.0001, D-Iditol, Iditol, D- (8CI), NSC 227898, Q5989072, BRD-K36513555-001-02-0 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol |
| Prediction Hob | 0.0 |
| Xlogp | -3.1 |
| Molecular Formula | C6H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBPFZTCFMRRESA-ZXXMMSQZSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.122 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.528 |
| Compound Name | D-Iditol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3135336000000002 |
| Inchi | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m1/s1 |
| Smiles | C([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Turkestanorum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients