847551-25-1
7-[3,5-BIS-O-[(-2,4-DICHLOROPHENYL)METHYL]-2-C-METHYL-BETA-D-RIBOFURANOSYL]-4-CHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE
Name7-[3,5-BIS-O-[(-2,4-DICHLOROPHENYL)METHYL]-2-C-METHYL-BETA-D-RIBOFURANOSYL]-4-CHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE
FormulaC26 H21 Cl5 I N3 O4
1Identification
【Name】
7-[3,5-BIS-O-[(-2,4-DICHLOROPHENYL)METHYL]-2-C-METHYL-BETA-D-RIBOFURANOSYL]-4-CHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE
【CAS】
【MDL】
MFCD17017896
【English Synonyms】
【Formula】
C26 H21 Cl5 I N3 O4
【MolWeight】
743.634
【Inchi】
InChI=1S/C26H21Cl5IN3O4/c1-26(36)22(38-10-14-3-5-16(28)7-18(14)30)20(11-37-9-13-2-4-15(27)6-17(13)29)39-25(26)35-8-19(32)21-23(31)33-12-34-24(21)35/h2-8,12,20,22,25,36H,9-11H2,1H3/t20-,22-,25-,26-/m1/s1
【InChIKey】
InChIKey=KQIDYXZBXCWJHL-SUVBRTNGSA-N
【SMILES】
C[C@]1([C@@H]([C@H](O[C@H]1n2cc(c3c2ncnc3Cl)I)COCc4ccc(cc4Cl)Cl)OCc5ccc(cc5Cl)Cl)O
【MOL File】
7-[3,5-BIS-O-[(-2,4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-[3,5-BIS-O-[(-2,4-DICHLOROPHENYL)METHYL]-2-C-METHYL-BETA-D-RIBOFURANOSYL]-4-CHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE.cml