Rutin

• CAS: 153-18-4
• Catalog Number: ACM153184
• Category: Inhibitors
• Molecular Weight: 610.52
• Molecular Formula: C27H30O16
• Description: Rutin, also called rutoside, quercetin-3-O-rutinoside and sophorin, is the glycoside between the flavonol quercetin and the disaccharide rutinose (α-L-rhamnopyranosyl-(1→6))-β-D-glucopyranose). In the fava d’anta tree, the synthesis is done via a rutin synthase activity.
• Synonyms: Globularicitrin
• IUPAC Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
• InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N
• Boiling Point: 576.13 °C
• Melting Point: 195 °C(lit.)
• Flash Point: 325.4 °C
• Density: 1.3881 g/cm³
• Appearance: Yellow to green powder
• Storage: Keep in dark place, sealed in dry, 2-8 °C
• Active Content: 95%
• Complexity: 1020
• EC Number: 205-814-1
• Exact Mass: 610.15338487
• Hazard Codes: Xn; Xi
• HS Code: 2932999099
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
• LogP: -1.68710
• Monoisotopic Mass: 610.15338487
• Physical State: Solid
• pKa: 6.17±0.40(Predicted)
• PSA: 269.43
• Refractive Index: 1.7650
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: Plantsother families
• Stability: Stable at room temperature in closed containers under normal storage and handling conditions.
• Storage Conditions: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. Store protected from light.
• Topological Polar Surface Area: 266 Ų
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of Rutin?

PubChem CID of Rutin is 5280805.

What is the molecular formula of Rutin?

The molecular formula of Rutin is C27H30O16.

What is the molecular weight of Rutin?

The molecular weight of Rutin is 610.5 g/mol.

What is the IUPAC Name of Rutin?

The IUPAC Name of Rutin is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

What is the InChI of Rutin?

The InChI of Rutin is InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1.

What is the CAS number of Rutin?

The CAS number of Rutin is 153-18-4.

What is the ChEBI ID of Rutin?

The ChEBI ID of Rutin is CHEBI:50518.

What is the UNII of Rutin?

The UNII of Rutin is 5G06TVY3R7.

What is the KEGG ID of Rutin?

The KEGG ID of Rutin is C05625.

What is the Lipid Maps ID of Rutin?

The Lipid Maps ID of Rutin is LMPK12112098.

Synthetic Use

Upstream Synthesis Route 1

• 100-22-1

• 100-22-1
• 153-18-4

Reference: [1] Journal of the Chemical Society. Perkin Transactions 2, 1996, vol. 0, # 11, p. 2497 - 2504
[2] Journal of the Chemical Society. Perkin Transactions 2, 1996, vol. 0, # 11, p. 2497 - 2504

Downstream Synthesis Route 1

• 501-94-0
• 153-18-4

• 10338-51-9

Reference: [1] ChemSusChem, 2017, vol. 10, # 9, p. 2040 - 2045

Downstream Synthesis Route 2

• 75-21-8
• 153-18-4

• 7085-55-4

Reference: [1] Patent: CN104478972, 2017, B, . Location in patent: Paragraph 0018; 0019; 0020; 0021; 0022; 0023; 0024-0031

Downstream Synthesis Route 3

• 108-24-7
• 153-18-4

• 2328-13-4

Reference: [1]Lu, Kui; Chu, Jie; Wang, Haomeng; Fu, Xiaoli; Quan, Dewu; Ding, Hongxia; Yao, Qingwei; Yu, Peng
[Tetrahedron Letters, 2013, vol. 54, # 47, p. 6345 - 6348]

Downstream Synthesis Route 4

• 153-18-4
• 107-07-3

• 7085-55-4

Reference: [1]Current Patent Assignee: CHONGQING BEISHENG PHARMACHEM - CN106589017, 2017, A
Location in patent: Paragraph 0038; 0039
[2]Wurm; Rehn
[Archiv der Pharmazie, 1985, vol. 318, # 8, p. 747 - 753]

Downstream Synthesis Route 5

• 153-18-4

• 117-39-5

Reference: [1]Matsuda, Hisashi; Morikawa, Toshio; Toguchida, Iwao; Yoshikawa, Masayuki
[Chemical and Pharmaceutical Bulletin, 2002, vol. 50, # 6, p. 788 - 795]

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