CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,6R)-3-hydroxy-6-methyl-5-oxooxan-2-yl] hydrogen phosphate

Also Known As: CDP-4-dehydro-3,6-dideoxy-D-glucose|1,3-Oxazol-5-ylboronic acid|CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose|Sid 770375|KST-1A3119|Cadmiumbromid * 2 Triphenylphosphin|CDP-3,6-dideoxy-D-erythro-hexos-4-ulose|Cytidine diphosphate-4-keto-3,6-dideoxyglucose|CDP-4-dehydro-3,6-dideoxy-|A-D-glucose|cytidine 5'-[3-(3,6-dideoxy-alpha-D-erythro-hexopyranosyl-4-ulose) dihydrogen diphosphate]|[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl(2r,3r,6r)-3-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate(non-preferred name)|[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,6R)-3-hydroxy-6-methyl-5-oxooxan-2-yl] hydrogen phosphate|[(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3R,6R)-3-hydroxy-6-methyl-5-oxooxan-2-yl dihydrogen diphosphate|{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,6R)-3-hydroxy-6-methyl-5-oxooxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid|cytidine 3'-(trihydrogen diphosphate), P'-(3,6-dideoxy-?-D-erythro-hexopyanos-4-ulosyl) ester|Cytidine 5 -[diphosphoric acid P2-[(tetrahydro-3alpha-hydroxy-6beta-methyl-5-oxo-2H-pyran)-2alpha-yl]] ester|Cytidine 5 -diphosphoric acid beta-(3,6-dideoxy-alpha-D-erythro-4-hexosulopyranosyl) ester|Cytidine 5 -diphosphoric acid beta-[(2R)-3alpha-hydroxy-5-oxo-6beta-methyltetrahydro-2H-pyran-2alpha-yl] ester|Cytidine 5'-(trihydrogen diphosphate), mono(3,6-dideoxy-alpha-D-erythro-hexopyranos-4-ulosyl) ester|Cytidine 5a(2)-(trihydrogen diphosphate), Pa(2)-(3,6-dideoxy-I+/--D-erythro-hexopyranos-4-ulos-1-yl) ester

Molecular Formula	C15H23N3O14P2
Molecular Weight	531.06555 g/mol
LogP	-5.5
Topological Polar Surface Area	257.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	531.06555
Monoisotopic Mass	531.06555
Heavy Atoms	34
Complexity	974.0

Chemical Identifiers

CAS Number	24972-61-0
SMILES	C[C@@H]1C(=O)C[C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O
InChIKey	DATWFRMXXZBEPM-SNAICPSHSA-N