L-Epicatechin

• Catalog Number: ACM490460
• Product Name: L-Epicatechin
• CAS: 490-46-0
• Category: Heterocyclic Organic Compound
• Synonyms: 3,3',4',5,7-Pentahydroxy-flavane
• IUPAC Name: (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
• Molecular Weight: 290.27
• Molecular Formula: C15H14O6
• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
• InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
• InChI Key: PFTAWBLQPZVEMU-UKRRQHHQSA-N
• Boiling Point: 629.2 °C
• Melting Point: 240 °C
• Density: 1.593±0.06 g/cm³
• Solubility: Soluble in water or alcohol
• Appearance: Solid
• Storage: -20 °C
• Complexity: 364
• Exact Mass: 290.07903816
• Hazard Statements: Xi
• Isomeric SMILES: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
• Monoisotopic Mass: 290.07903816
• pKa: 9.54±0.10(Predicted)
• Safety Description: 26-36
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 110 Ų

Custom Q&A

What is the PubChem CID of L-Epicatechin?

The PubChem CID of L-Epicatechin is 72276.

What is the molecular formula of L-Epicatechin?

The molecular formula of L-Epicatechin is C15H14O6.

What is the molecular weight of L-Epicatechin?

The molecular weight of L-Epicatechin is 290.27 g/mol.

What is the IUPAC Name of L-Epicatechin?

The IUPAC Name of L-Epicatechin is (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the InChI of L-Epicatechin?

The InChI of L-Epicatechin is InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1.

What is the InChIKey of L-Epicatechin?

The InChIKey of L-Epicatechin is PFTAWBLQPZVEMU-UKRRQHHQSA-N.

What is the canonical SMILES of L-Epicatechin?

The canonical SMILES of L-Epicatechin is C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.

What is the CAS number of L-Epicatechin?

The CAS number of L-Epicatechin is 490-46-0.

How many hydrogen bond donor counts does L-Epicatechin have?

L-Epicatechin has 5 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does L-Epicatechin have?

L-Epicatechin has 6 hydrogen bond acceptor counts.