59354-00-6
5-IODO-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-IMIDAZO-4-CARBONITRILE
Name
5-IODO-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-IMIDAZO-4-CARBONITRILE
Formula
C15 H16 I N3 O7
MolWeight
477.205
1Identification
【Name】
5-IODO-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-IMIDAZO-4-CARBONITRILE
【CAS】
【MDL】
MFCD09840806
【English Synonyms】
【Formula】
C15 H16 I N3 O7
【MolWeight】
477.205
【Inchi】
InChI=1S/C15H16IN3O7/c1-7(20)23-5-11-12(24-8(2)21)13(25-9(3)22)15(26-11)19-6-18-10(4-17)14(19)16/h6,11-13,15H,5H2,1-3H3/t11-,12-,13-,15-/m1/s1
【InChIKey】
InChIKey=ZCKJMOSDZVYMCR-RGCMKSIDSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2I)C#N)OC(=O)C)OC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-IODO-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-IMIDAZO-4-CARBONITRILE.cml
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