(R)-Sodium Danshensu
PubChem CID: 23693207
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| Compound Synonyms | Danshensu (sodium), 81075-52-7, Danshensu sodium salt, sodium (R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate, (R)-Sodium Danshensu, sodium, (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate, Tanshinol Sodium, Salvianic Acid A Sodium, Dan Shen Suan A Sodium Salt, (alphaR)-alpha,3,4-Trihydroxy-benzenepropanoic Acid Monosodium Salt, (R)-alpha,3,4-Trihydroxy-benzenepropanoic Acid Monosodium Salt, , Sodium Danshensu,(S), HY-N1913A, MFCD07781415, AKOS037514844, FS09244, Danshensu sodium salt, >=98% (HPLC), Sodium Danshensu, ()-DanShenSu sodium sal, CS-0168760 |
|---|---|
| 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 | 1.0 |
| Iupac Name | sodium, (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C9H9NaO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZMMKVDBZTXUHFO-DDWIOCJRSA-M |
| Fcsp3 | 0.2222222222222222 |
| Logs | -0.374 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.557 |
| Compound Name | (R)-Sodium Danshensu |
| 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/t8-, /m1./s1 |
| Smiles | C1=CC(=C(C=C1C[C@H](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