725257-84-1
5-FLUORO-4-THIO-1-(2',3',5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)URACIL
Name
5-FLUORO-4-THIO-1-(2',3',5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)URACIL
Formula
C30 H23 F N2 O8 S
MolWeight
590.582
1Identification
【Name】
5-FLUORO-4-THIO-1-(2',3',5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)URACIL
【CAS】
【MDL】
MFCD10566678
【English Synonyms】
【Formula】
C30 H23 F N2 O8 S
【MolWeight】
590.582
【Inchi】
InChI=1S/C30H23FN2O8S/c31-21-16-33(30(37)32-25(21)42)26-24(41-29(36)20-14-8-3-9-15-20)23(40-28(35)19-12-6-2-7-13-19)22(39-26)17-38-27(34)18-10-4-1-5-11-18/h1-16,22-24,26H,17H2,(H,32,37,42)/t22-,23-,24-,26-/m0/s1
【InChIKey】
InChIKey=DNDVKZIJKXFMBL-IGRGDXOOSA-N
【SMILES】
c1ccc(cc1)C(=O)OC[C@H]2[C@@H]([C@@H]([C@H](O2)n3cc(c(=S)[nH]c3=O)F)OC(=O)c4ccccc4)OC(=O)c5ccccc5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-FLUORO-4-THIO-1-(2',3',5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)URACIL.cml
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