bis-5'-D4T phosphate structure

bis-5'-D4T phosphate

bis[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate

Also Known As: Bis-5'-D4T phosphate|Bis-5'-(2',3'-didehydro-3'-deoxythymidine) phosphate|bis[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate|Thymidine,2',3'-didehydro-3'-deoxythymidylyl-(5'®5')-2',3'-didehydro-3'-deoxy- (9CI)|bis{[(2s,5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl} hydrogen phosphate|Thymidine, 2',3'-didehydro-3'-deoxythymidylyl-(5'-5')-2',3'-didehydro-3'-deoxy-|Bis{[(2S,5R)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl} hydrogen phosphate|Bis{[5-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl} hydrogen phosphate

CAS: 175136-57-9
Molecular Formula C20H23N4O10P
Molecular Weight 510.11517 g/mol
LogP -1.8
Topological Polar Surface Area 173.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
Rotatable Bonds 8
Exact Mass 510.11517
Monoisotopic Mass 510.11517
Heavy Atoms 35
Complexity 1030.0

Chemical Identifiers

CAS Number 175136-57-9
SMILES CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)OC[C@@H]3C=C[C@@H](O3)N4C=C(C(=O)NC4=O)C
InChIKey AFTUVCJBTTYRAU-CAOSSQGBSA-N

Product Overview

bis-5'-D4T phosphate (CAS 175136-57-9), with molecular formula C20H23N4O10P and molecular weight 510.11517 g/mol. IUPAC: bis[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate.

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