Sodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
PubChem CID: 23711819
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| Compound Synonyms | Sodium Danshensu, 67920-52-9, sodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate, Danshensu sodium salt, Danshensu (sodium salt), sodium, 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate, Benzenepropanoic acid, a,3,4-trihydroxy-, monosodium salt, sodium 3-(3,4-dihydroxyphenyl)-dl-lactate, Sodium Danshensu, (+/-)-DanShenSu sodium sal, SodiumDanshensu, Sodium-Danshensu, sodium 3-(3,4-dihydroxyphenyl)lactate, SCHEMBL3331027, HY-N0106R, CHEBI:228909, HMS3656O15, BCP28293, HY-N0106, s2401, AKOS025401681, CCG-266719, CS-5678, AC-24422, AS-70348, DA-77922, SW219284-1, (Rac)-Salvianic acid A (sodium) (Standard), 3-(3',4'-Dihydroxyphenyl)lactic acid sodium salt, Sodium 3-(3,4-dihydroxyphenyl)-DL-lactate, analytical standard |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C9H9NaO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZMMKVDBZTXUHFO-UHFFFAOYSA-M |
| Fcsp3 | 0.2222222222222222 |
| Logs | -0.374 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.557 |
| Compound Name | Sodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.035 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 220.15 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14, /h1-3,8,10-12H,4H2,(H,13,14), /q, +1/p-1 |
| Smiles | C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients