(+)-epicatechin-5-sulfate
Showing entry for (+)-epicatechin-5-sulfate
Identification
- PhytoHub ID
- PHUB002312
- Name
- (+)-epicatechin-5-sulfate
- Systematic Name
- (+)-epicatechin-5-sulfate
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 370.33
- Monoisotopic Mass
- 370.035853205
- Chemical Formula
- C15H14O9S
- IUPAC Name
- Not Available
- InChI Key
- MWSSRHFQMROXGK-WFASDCNBSA-N
- InChI Identifier
InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m0/s1
- SMILES
O[C@H]1CC2=C(OS(O)(=O)=O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C1
- Structure
Structure for (+)-epicatechin-5-sulfate
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 3
- Polar Surface Area
- 153.75
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- -3.30947498850145
- pKa (strongest acidic)
- -2.297656160170727
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Spectra from Phytohub
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found