(2R,3R)-4-[[(7R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methoxy]-3-propan-2-ylpent-4-ene-2,3-diol
PubChem CID: 6428028
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| Compound Synonyms | LCGFFVMHSUIPAC-XKAGKQMDSA-N |
|---|---|
| Topological Polar Surface Area | 73.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3R)-4-[[(7R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methoxy]-3-propan-2-ylpent-4-ene-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C16H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LCGFFVMHSUIPAC-XKAGKQMDSA-N |
| Fcsp3 | 0.75 |
| Logs | -1.707 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.94 |
| Compound Name | (2R,3R)-4-[[(7R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methoxy]-3-propan-2-ylpent-4-ene-2,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 297.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 297.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3193489999999994 |
| Inchi | InChI=1S/C16H27NO4/c1-10(2)16(20,11(3)18)12(4)21-9-13-5-7-17-8-6-14(19)15(13)17/h5,10-11,14-15,18-20H,4,6-9H2,1-3H3/t11-,14-,15?,16-/m1/s1 |
| Smiles | C[C@H]([C@](C(C)C)(C(=C)OCC1=CCN2C1[C@@H](CC2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynoglossum Amabile (Plant) Rel Props:Source_db:cmaup_ingredients