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Danshensu

CAT: 0931-T3227-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T3227-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76822-21-4
Target
Autophagy, Reactive Oxygen Species, NF-κB, Apoptosis, Nrf2, SARS-CoV, ROS
Related Pathways
Autophagy, Microbiology/Virology, NF-κB, Metabolism, Apoptosis, Immunology/Inflammation
Purity
0.9974
Bioactivity
Danshensu (Dan shen suan A) is an active ingredient of *Salvia miltiorrhiza* with extensive cardiovascular benefits.
Smiles
O[C@H](Cc1ccc(O)c(O)c1)C(O)=O
Molecular Formula
C9H10O5
Molecular Weight
198.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Danshensu

(2R)-3-(3,4-dihydroxyphenyl)lactic acid is a (2R)-2-hydroxy monocarboxylic acid that is (R)-lactic acid substituted at position 3 by a 3,4-dihydroxyphenyl group. It is a 3-(3,4-dihydroxyphenyl)lactic acid and a (2R)-2-hydroxy monocarboxylic acid. It is a conjugate acid of a (2R)-3-(3,4-dihydroxyphenyl)lactate.

CAS Number76822-21-4
PubChem CID11600642
IUPAC Name(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
Molecular FormulaC9H10O5
Molecular Weight198.17
XLogP-0.2
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity205
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)O)O)O
InChI
InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1
InChIKey
PAFLSMZLRSPALU-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of Danshensu
CAS: 76822-21-4
CID: 11600642
Formula: C9H10O5
MW: 198.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.17
XLogP3-0.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass198.05282342
Monoisotopic Mass198.05282342
Topological Polar Surface Area98 Ų
Heavy Atom Count14
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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