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Salvianolic Acid D

CAT: 0572-TRC-S100830-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S100830-100MGSize:100 mg
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CAS Number
142998-47-8
Synonyms
Salvianolic Acid D; Benzenepropanoic acid, α-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-; Benzenepropanoic acid, α-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (αR)- (9CI); Benzenep
Hazard Statement
No Data Available
Smiles
OC(=O)Cc1c(O)c(O)ccc1\C=C\C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O
Molecular Formula
C20 H18 O10
Molecular Weight
418.351
InChI
InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1
Additionnal Information
IUPAC name: (2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Shipping Conditions
Room Temperature

Chemical Information

Salvianolic acid D

Salvianolic acid D is a hydroxycinnamic acid.

CAS Number142998-47-8
PubChem CID75412558
IUPAC Name(2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular FormulaC20H18O10
Molecular Weight418.3
XLogP1.8
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity647
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)CC(=O)O)O)O
InChI
InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1
InChIKey
KFCMFABBVSIHTB-WUTVXBCWSA-N
Chemical Structure
2D Structure
2D structure of Salvianolic acid D
CAS: 142998-47-8
CID: 75412558
Formula: C20H18O10
MW: 418.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.3
XLogP31.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass418.08999677
Monoisotopic Mass418.08999677
Topological Polar Surface Area182 Ų
Heavy Atom Count30
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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