6-Chloro-7-Deazapurine-b-d-riboside

• CAS: 16754-80-6
• Catalog Number: ACM16754806
• Category: Other Products
• Molecular Weight: 285.686
• Molecular Formula: C₁₁H₁₂ClN₃O₄
• Synonyms: 4-Chloro-7-(D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine;6-Chloro-7-deazapurine-b-D-riboside;6-Chloro-9-(D-ribofuranosyl)-7-deazapurine;6-Deamino-6-chlorotubercidin;NSC 101161;6-Chloro-7-deaza-9-(b-D-ribofuranosyl)purine;6-CHLORO-7-DEAZAPURINE-SS-D-RIBOSIDE;6-Chloro-7-deaza-9-(β-D-ribofuranosyl)purine
• Melting Point: 160-162°C

Custom Q&A

What is the molecular formula of 6-Chloro-7-Deazapurine-b-d-riboside?

The molecular formula is C11H12ClN3O4.

What is the molecular weight of 6-Chloro-7-Deazapurine-b-d-riboside?

The molecular weight is 285.68 g/mol.

When was 6-Chloro-7-Deazapurine-b-d-riboside created?

It was created on August 1, 2005.

When was 6-Chloro-7-Deazapurine-b-d-riboside last modified?

It was last modified on December 30, 2023.

What is the IUPAC name of 6-Chloro-7-Deazapurine-b-d-riboside?

The IUPAC name is (2R,3R,4S,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

What is the InChI of 6-Chloro-7-Deazapurine-b-d-riboside?

The InChI is InChI=1S/C11H12ClN3O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2/t6-,7-,8-,11-/m1/s1.

What is the Canonical SMILES of 6-Chloro-7-Deazapurine-b-d-riboside?

The Canonical SMILES is C1=CN(C2=C1C(=NC=N2)Cl)C3C(C(C(O3)CO)O)O.

What is the XLogP3-AA value of 6-Chloro-7-Deazapurine-b-d-riboside?

The XLogP3-AA value is 0.

How many hydrogen bond donor counts does 6-Chloro-7-Deazapurine-b-d-riboside have?

It has 3 hydrogen bond donor counts.

How many rotatable bond counts does 6-Chloro-7-Deazapurine-b-d-riboside have?

It has 2 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 115479-39-5

• 16754-80-6

Reference: [1]Journal of Heterocyclic Chemistry,1988,vol. 25,p. 1893 - 1898
[2]Tetrahedron Letters,1987,vol. 28,p. 5107 - 5110
[3]Helvetica Chimica Acta,1988,vol. 71,p. 1573 - 1585
[4]Organic and Biomolecular Chemistry,2016,vol. 14,p. 11096 - 11105

Downstream Synthesis Route 1

• 16754-80-6

• 69-33-0

Reference: [1] Helvetica Chimica Acta, 1988, vol. 71, # 6, p. 1573 - 1585
[2] Tetrahedron Letters, 1987, vol. 28, # 43, p. 5107 - 5110
[3] Journal of Heterocyclic Chemistry, 1988, vol. 25, # 6, p. 1893 - 1898
[4] Patent: WO2018/133854, 2018, A1, . Location in patent: Paragraph 0191; 0198; 0199
[5] Patent: WO2018/156625, 2018, A1, . Location in patent: Paragraph 0278

Downstream Synthesis Route 2

• 16754-80-6

• 69-33-0

Reference: [1]Helvetica Chimica Acta,1988,vol. 71,p. 1573 - 1585
[2]Tetrahedron Letters,1987,vol. 28,p. 5107 - 5110
[3]Journal of Heterocyclic Chemistry,1988,vol. 25,p. 1893 - 1898
[4]Patent: WO2018/133854,2018,A1 .Location in patent: Paragraph 0191; 0198; 0199
[5]Patent: WO2018/156625,2018,A1 .Location in patent: Paragraph 0278

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