(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde

C87H128Cl6F10N18O29P6 — CID 161443631

IUPAC(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C(/F)P(=O)(CO)OC)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C(/F)P(C)(C)=O)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C\P(=O)(CO)OC)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CC(F)P(=O)(CO)OC)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CC(F)P(C)(C)=O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CCP(=O)(CO)OC)[C@@H](O)[C@H]1F.C=O.C=O.C=O
InChIInChI=1S/C14H21ClF2N3O5P.C14H19ClF2N3O5P.C14H21ClF2N3O3P.C14H19ClF2N3O3P.C14H22ClFN3O5P.C14H20ClFN3O5P.3CH2O/c2*1-8-19-10(18)3-4-20(8)13-11(17)12(22)14(6-15,25-13)5-9(16)26(23,7-21)24-2;2*1-8-19-10(18)4-5-20(8)13-11(17)12(21)14(7-15,23-13)6-9(16)24(2,3)22;2*1-9-18-10(17)3-5-19(9)13-11(16)12(21)14(7-15,24-13)4-6-25(22,8-20)23-2;3*1-2/h3-4,9,11-13,21-22H,1,5-7H2,2H3,(H2,18,19);3-5,11-13,21-22H,1,6-7H2,2H3,(H2,18,19);4-5,9,11-13,21H,1,6-7H2,2-3H3,(H2,18,19);4-6,11-13,21H,1,7H2,2-3H3,(H2,18,19);3,5,11-13,20-21H,1,4,6-8H2,2H3,(H2,17,18);3-6,11-13,20-21H,1,7-8H2,2H3,(H2,17,18);3*1H2/b;9-5-;;9-6-;;6-4-;;;/t9?,11-,12+,13-,14+,26?;11-,12+,13-,14+,26?;9?,11-,12+,13-,14+;11-,12+,13-,14+;2*11-,12+,13-,14+,25?;;;/m111111.../s1
InChIKeyVZPNLLDHNMUPPY-XFLZVOPDSA-N
MW2478.62 g/mol
LogP8.15
Rot. Bonds35

About (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde

(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde (PubChem CID 161443631) has the molecular formula C87H128Cl6F10N18O29P6 and a molecular weight of 2478.62 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde
PubChem CID161443631
Molecular FormulaC87H128Cl6F10N18O29P6
Molecular Weight2478.62 g/mol
Exact Mass2474.55
IUPAC Name(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C(/F)P(=O)(CO)OC)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C(/F)P(C)(C)=O)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C\P(=O)(CO)OC)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CC(F)P(=O)(CO)OC)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CC(F)P(C)(C)=O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CCP(=O)(CO)OC)[C@@H](O)[C@H]1F.C=O.C=O.C=O
InChIInChI=1S/C14H21ClF2N3O5P.C14H19ClF2N3O5P.C14H21ClF2N3O3P.C14H19ClF2N3O3P.C14H22ClFN3O5P.C14H20ClFN3O5P.3CH2O/c2*1-8-19-10(18)3-4-20(8)13-11(17)12(22)14(6-15,25-13)5-9(16)26(23,7-21)24-2;2*1-8-19-10(18)4-5-20(8)13-11(17)12(21)14(7-15,23-13)6-9(16)24(2,3)22;2*1-9-18-10(17)3-5-19(9)13-11(16)12(21)14(7-15,24-13)4-6-25(22,8-20)23-2;3*1-2/h3-4,9,11-13,21-22H,1,5-7H2,2H3,(H2,18,19);3-5,11-13,21-22H,1,6-7H2,2H3,(H2,18,19);4-5,9,11-13,21H,1,6-7H2,2-3H3,(H2,18,19);4-6,11-13,21H,1,7H2,2-3H3,(H2,18,19);3,5,11-13,20-21H,1,4,6-8H2,2H3,(H2,17,18);3-6,11-13,20-21H,1,7-8H2,2H3,(H2,17,18);3*1H2/b;9-5-;;9-6-;;6-4-;;;/t9?,11-,12+,13-,14+,26?;11-,12+,13-,14+,26?;9?,11-,12+,13-,14+;11-,12+,13-,14+;2*11-,12+,13-,14+,25?;;;/m111111.../s1
InChIKeyVZPNLLDHNMUPPY-XFLZVOPDSA-N
XLogP8.15
TPSA697.95 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds35
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002478.62
LogP ≤ 58.15
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde with MolForge

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Related Compounds

[[(2R,3R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(bromomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 121430179
[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 161230750
[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 160949891
[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 160899450
4-amino-1-[5-(chloromethyl)-5-(2-dimethoxyphosphorylethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 123684767
(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 159897711
2-[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 123862028
(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-chloro-2-(chloromethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-chloro-2-ethenyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-chloro-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-chloro-2-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-chloro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;1-[(2R,3R,4R,5R)-3-chloro-5-(chloromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-3-chloro-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-3-chloro-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-3-chloro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one;(2R,3R,4R,5R)-4-chloro-3-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolane-2-carbonitrile
CID 158165760
[(2R,3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 118595882
1-[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]propan-2-yl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 118489690
(3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol
CID 90275967
(3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol
CID 90275968

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde?
The IUPAC name of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde (CID 161443631) is (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde.
What is the SMILES notation for (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde?
The canonical SMILES for (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde is C=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C(/F)P(=O)(CO)OC)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C(/F)P(C)(C)=O)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](/C=C\P(=O)(CO)OC)(CCl)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CC(F)P(=O)(CO)OC)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CC(F)P(C)(C)=O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(CCP(=O)(CO)OC)[C@@H](O)[C@H]1F.C=O.C=O.C=O.
What is the InChIKey of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde?
The InChIKey is VZPNLLDHNMUPPY-XFLZVOPDSA-N. The full InChI is InChI=1S/C14H21ClF2N3O5P.C14H19ClF2N3O5P.C14H21ClF2N3O3P.C14H19ClF2N3O3P.C14H22ClFN3O5P.C14H20ClFN3O5P.3CH2O/c2*1-8-19-10(18)3-4-20(8)13-11(17)12(22)14(6-15,25-13)5-9(16)26(23,7-21)24-2;2*1-8-19-10(18)4-5-20(8)13-11(17)12(21)14(7-15,23-13)6-9(16)24(2,3)22;2*1-9-18-10(17)3-5-19(9)13-11(16)12(21)14(7-15,24-13)4-6-25(22,8-20)23-2;3*1-2/h3-4,9,11-13,21-22H,1,5-7H2,2H3,(H2,18,19);3-5,11-13,21-22H,1,6-7H2,2H3,(H2,18,19);4-5,9,11-13,21H,1,6-7H2,2-3H3,(H2,18,19);4-6,11-13,21H,1,7H2,2-3H3,(H2,18,19);3,5,11-13,20-21H,1,4,6-8H2,2H3,(H2,17,18);3-6,11-13,20-21H,1,7-8H2,2H3,(H2,17,18);3*1H2/b;9-5-;;9-6-;;6-4-;;;/t9?,11-,12+,13-,14+,26?;11-,12+,13-,14+,26?;9?,11-,12+,13-,14+;11-,12+,13-,14+;2*11-,12+,13-,14+,25?;;;/m111111.../s1.
What are the key properties of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde?
(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde has a molecular weight of 2478.62 g/mol, XLogP of 8.15, 35 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-[(Z)-2-dimethylphosphoryl-2-fluoroethenyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(2-dimethylphosphoryl-2-fluoroethyl)-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-fluoro-2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[(Z)-2-[hydroxymethyl(methoxy)phosphoryl]ethenyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-[2-[hydroxymethyl(methoxy)phosphoryl]ethyl]oxolan-3-ol;formaldehyde is sourced from PubChem (CID 161443631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).