[(2R,3R,4R)-3,4-Dihydroxy-2-pyrrolidinyl]methyl I(2)-D-glucopyranoside
PubChem CID: 11822547
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| Compound Synonyms | CHEMBL470467, DTXSID301162840, 406945-57-1, [(2R,3R,4R)-3,4-Dihydroxy-2-pyrrolidinyl]methyl I(2)-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Uniprot Id | Q6P7A9, P23739, Q4FZV0, Q42656, Q58D55, Q2KIM0 |
| Iupac Name | (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxypyrrolidin-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -3.9 |
| Molecular Formula | C11H21NO8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OILUEZIOYKUCCP-SJXPRXMESA-N |
| Fcsp3 | 1.0 |
| Logs | -0.162 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.787 |
| Compound Name | [(2R,3R,4R)-3,4-Dihydroxy-2-pyrrolidinyl]methyl I(2)-D-glucopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.127 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 295.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.4093144000000006 |
| Inchi | InChI=1S/C11H21NO8/c13-2-6-8(16)9(17)10(18)11(20-6)19-3-4-7(15)5(14)1-12-4/h4-18H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-/m1/s1 |
| Smiles | C1[C@H]([C@@H]([C@H](N1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angylocalyx Braunii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Angylocalyx Oligophyllus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Angylocalyx Pynaertii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all