(1R,12R)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol
PubChem CID: 101148425
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 560.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,12R)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C19H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONEUXHSNVSOILA-AUUYWEPGSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -5.952 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.648 |
| Compound Name | (1R,12R)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 339.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 339.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.716651400000001 |
| Inchi | InChI=1S/C19H17NO5/c1-20-14-2-10-3-15-18(25-9-22-15)6-13(10)19(20,21)7-11-4-16-17(5-12(11)14)24-8-23-16/h3-6,14,21H,2,7-9H2,1H3/t14-,19-/m1/s1 |
| Smiles | CN1[C@@H]2CC3=CC4=C(C=C3[C@@]1(CC5=CC6=C(C=C25)OCO6)O)OCO4 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cryptocarya Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients