91713-47-2
4-CHLORO-1-(3,5-DI-O-TOLUOYL-BETA-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE
Name4-CHLORO-1-(3,5-DI-O-TOLUOYL-BETA-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE
pro_formulaC26 H23 Cl N4 O5
1Identification
【Name】
4-CHLORO-1-(3,5-DI-O-TOLUOYL-BETA-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE
【CAS】
【MDL】
MFCD04973666
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H23 Cl N4 O5
【pro_molWeight】
506.944
【Inchi】
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
【InChIKey】
InChIKey=CPTREUTUTMYCBI-BHDDXSALSA-N
【SMILES】
Cc1ccc(cc1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)n3c4c(cn3)c(ncn4)Cl)OC(=O)c5ccc(cc5)C
【MOL File】
4-CHLORO-1-(3,5-DI-O….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:9
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-CHLORO-1-(3,5-DI-O-TOLUOYL-BETA-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE.cml