L-Epicatechin

• CAS: 490-46-0
• Catalog Number: ACM490460
• Category: Other Products
• Molecular Weight: 290.27
• Molecular Formula: C15H14O6
• 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
• 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.

Synthetic Use

Upstream Synthesis Route 1

• 29106-49-8

• 490-46-0

Reference: [1]Chemistry of Natural Compounds,1982,vol. 18,p. 282 - 287
Khimiya Prirodnykh Soedinenii,1982,p. 307 - 312
[2]Chemistry of Natural Compounds,1982,vol. 18,p. 282 - 287
Khimiya Prirodnykh Soedinenii,1982,p. 307 - 312

Upstream Synthesis Route 2

• 29106-49-8

• 490-46-0
• 154-23-4

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1985,p. 1439 - 1444

Downstream Synthesis Route 1

• 490-46-0
• 970-73-0

• 4670-05-7

Reference: [1] Tetrahedron Letters, 2014, vol. 55, # 36, p. 5038 - 5040

Downstream Synthesis Route 2

• 490-46-0
• 970-73-0

• 4670-05-7
• 302776-47-2

Reference: [1] Chemical Communications, 2000, # 15, p. 1365 - 1366
[2] Tetrahedron Letters, 2015, vol. 56, # 36, p. 5099 - 5102

Downstream Synthesis Route 3

• 490-46-0
• 970-73-0

• 4670-05-7
• 302776-47-2

Reference: [1] Journal of Agricultural and Food Chemistry, 2002, vol. 50, # 7, p. 2142 - 2148

Downstream Synthesis Route 4

• 108-24-7
• 490-46-0

• 16198-01-9

Reference: [1]Heterocycles,2014,vol. 8,p. 1595 - 1602

* For details of the synthesis route, please refer to the original source to ensure accuracy.