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Clitocine structure
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Clitocine

TL;DR: Clitocine (CAS 105798-74-1) is a chemical compound with molecular formula C9H13N5O6 and molecular weight 287.08658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol

Also Known As: Clitocine, starbld0000883, 6-Amino-5-nitro-4-(ribofuranosylamino)pyrimidine, (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol, J1.579.640E

CAS Number
105798-74-1
Molecular Formula
C9H13N5O6
Molecular Weight
287.08658 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (7 patents) Pharmaceutical Intermediates (10 patents)

Technical Specifications

Molecular FormulaC9H13N5O6
Molecular Weight287.08658 g/mol
XLogP-0.4
Topological Polar Surface Area (TPSA)180.0 Ų
Hydrogen Bond Donors5
Hydrogen Bond Acceptors10
Rotatable Bonds3
Exact Mass287.08658 Da
Heavy Atoms20
Complexity354.0
SMILESC1=NC(=C(C(=N1)N[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[N+](=O)[O-])N
InChIKeyOHEMBWZZEKCBAS-UUOKFMHZSA-N

Chemical Property Profile of Clitocine

XLogP
-0.4
TPSA (Topological Polar Surface Area)
180.0
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
Rotatable Bonds
3
Heavy Atoms
20
Complexity
354.0
Exact Mass
287.08658
Monoisotopic Mass
287.08658
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Clitocine

The XLogP value of -0.4 indicates that Clitocine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting Clitocine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clitocine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Clitocine?

The CAS number of Clitocine is 105798-74-1.

What is the molecular formula of Clitocine?

The molecular formula of Clitocine is C9H13N5O6.

What is the molecular weight of Clitocine?

The molecular weight of Clitocine is 287.08658 g/mol.

Where can I buy Clitocine?

You can request a quote for Clitocine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Clitocine?

Yes, CoreyChem provides custom synthesis services for Clitocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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