CAS
917102-35-3 Purity
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917102-35-3 Purity
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4-Chloro-1-(3,5-di-O-toluoyl-beta-D-2-deoxyribofuranosyl)pyrazolo[3,4-d]pyrimidine
CAS
91713-47-2
Catalog Number
ACM91713472
Category
Other Products
Molecular Weight
506.94
Molecular Formula
C26H23ClN4O5
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Specification
Synonyms
4-CHLORO-1-(3,5-DI-O-TOLUOYL-BETA-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE
What is the molecular formula of the compound with PubChem CID 90478177?
The molecular formula of the compound is C26H23ClN4O5.
What is the molecular weight of the compound?
The molecular weight is 506.9 g/mol.
What are some synonyms for the compound?
Some synonyms for the compound include 4-CHLORO-1-(3,5-DI-O-TOLUOYL-beta-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE and DTXSID401111252.
What is the IUPAC name of the compound?
The IUPAC name is [(2R,3S,5R)-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate.
What is the InChI of the compound?
The InChI is InChI=1S/C26H23ClN4O5/c1-15-3-7-17(8-4-15)25(32)34-13-21-20(36-26(33)18-9-5-16(2)6-10-18)11-22(35-21)31-24-19(12-30-31)23(27)28-14-29-24/h3-10,12,14,20-22H,11,13H2,1-2H3/t20-,21+,22+/m0/s1.
What is the InChIKey of the compound?
The InChIKey is CPTREUTUTMYCBI-BHDDXSALSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C4=C(C=N3)C(=NC=N4)Cl)OC(=O)C5=CC=C(C=C5)C.
How many hydrogen bond acceptor counts does the compound have?
The compound has 8 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 5.2.
How many defined atom stereocenter counts does the compound have?
The compound has 3 defined atom stereocenter counts.
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CAS
91713-46-1 Purity
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91713-46-1 Purity
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