2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol
PubChem CID: 13005892
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| Compound Synonyms | CHEMBL456077, 2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol, 2,5-dideoxy-2,5-imino-D-glycero-D-manno-heptitol, SCHEMBL5851667, BDBM50242071, PD180169 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | Q6P7A9, P23739, Q02401, Q2KIM0, I3LIR5, Q58D55 |
| Iupac Name | (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | -2.4 |
| Molecular Formula | C7H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZJRUOSSQTZGFJV-UHEPRFFZSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.007 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.251 |
| Compound Name | 2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 193.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 193.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6847661999999999 |
| Inchi | InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6-,7-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H](N1)C(CO)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hyacinthus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all