sodium
PubChem CID: 54608559
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | L-Tryptophan,, NSC694280 |
|---|---|
| Topological Polar Surface Area | 211.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 848.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, 2-[[2-[[hydroxy-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| Prediction Hob | 0.0 |
| Molecular Formula | C23H34N3NaO10P+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | IFGCUJZIWBUILZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5652173913043478 |
| Logs | -1.922 |
| Rotatable Bond Count | 11.0 |
| Logd | 0.2 |
| Compound Name | sodium, 2-[[2-[[hydroxy-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 566.188 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 566.188 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 566.5 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C23H34N3O10P.Na/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15, /h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34), /q, +1 |
| Smiles | CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O.[Na+] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients