4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride

C42H63F10N13O15S33 — CID 158924369

IUPAC4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1C.CC[C@H]1O[C@@H](n2ccc(NO)nc2=O)C(F)(F)[C@H]1C.CO.F.N.Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1.O=c1nc(NO)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[2H]CF
InChIInChI=1S/C11H15F2N3O3.C11H15F2N3O2.C9H11F2N3O5.C9H11F2N3O4.CH3F.CH4O.FH.H3N.S17.S16/c1-3-7-6(2)11(12,13)9(19-7)16-5-4-8(15-18)14-10(16)17;1-3-7-6(2)11(12,13)9(18-7)16-5-4-8(14)15-10(16)17;10-9(11)6(16)4(3-15)19-7(9)14-2-1-5(13-18)12-8(14)17;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;2*1-2;;;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h4-7,9,18H,3H2,1-2H3,(H,14,15,17);4-7,9H,3H2,1-2H3,(H2,14,15,17);1-2,4,6-7,15-16,18H,3H2,(H,12,13,17);1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H3;2H,1H3;1H;1H3;;/t2*6-,7+,9+;2*4-,6+,7-;;;;;;/m0011....../s1/i;;;;1D;;;;;
InChIKeyMARLGYDDCUBOQM-BXTIPWSGSA-N
MW2239.24 g/mol
LogP1.10
Rot. Bonds10

About 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride

4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride (PubChem CID 158924369) has the molecular formula C42H63F10N13O15S33 and a molecular weight of 2239.24 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride
PubChem CID158924369
Molecular FormulaC42H63F10N13O15S33
Molecular Weight2239.24 g/mol
Exact Mass2235.53
IUPAC Name4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1C.CC[C@H]1O[C@@H](n2ccc(NO)nc2=O)C(F)(F)[C@H]1C.CO.F.N.Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1.O=c1nc(NO)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[2H]CF
InChIInChI=1S/C11H15F2N3O3.C11H15F2N3O2.C9H11F2N3O5.C9H11F2N3O4.CH3F.CH4O.FH.H3N.S17.S16/c1-3-7-6(2)11(12,13)9(19-7)16-5-4-8(15-18)14-10(16)17;1-3-7-6(2)11(12,13)9(18-7)16-5-4-8(14)15-10(16)17;10-9(11)6(16)4(3-15)19-7(9)14-2-1-5(13-18)12-8(14)17;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;2*1-2;;;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h4-7,9,18H,3H2,1-2H3,(H,14,15,17);4-7,9H,3H2,1-2H3,(H2,14,15,17);1-2,4,6-7,15-16,18H,3H2,(H,12,13,17);1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H3;2H,1H3;1H;1H3;;/t2*6-,7+,9+;2*4-,6+,7-;;;;;;/m0011....../s1/i;;;;1D;;;;;
InChIKeyMARLGYDDCUBOQM-BXTIPWSGSA-N
XLogP1.10
TPSA429.19 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds10
Heavy Atoms113
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002239.24
LogP ≤ 51.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride (CID 158924369) is 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride is CC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1C.CC[C@H]1O[C@@H](n2ccc(NO)nc2=O)C(F)(F)[C@H]1C.CO.F.N.Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1.O=c1nc(NO)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[2H]CF.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride?
The InChIKey is MARLGYDDCUBOQM-BXTIPWSGSA-N. The full InChI is InChI=1S/C11H15F2N3O3.C11H15F2N3O2.C9H11F2N3O5.C9H11F2N3O4.CH3F.CH4O.FH.H3N.S17.S16/c1-3-7-6(2)11(12,13)9(19-7)16-5-4-8(15-18)14-10(16)17;1-3-7-6(2)11(12,13)9(18-7)16-5-4-8(14)15-10(16)17;10-9(11)6(16)4(3-15)19-7(9)14-2-1-5(13-18)12-8(14)17;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;2*1-2;;;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h4-7,9,18H,3H2,1-2H3,(H,14,15,17);4-7,9H,3H2,1-2H3,(H2,14,15,17);1-2,4,6-7,15-16,18H,3H2,(H,12,13,17);1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H3;2H,1H3;1H;1H3;;/t2*6-,7+,9+;2*4-,6+,7-;;;;;;/m0011....../s1/i;;;;1D;;;;;.
What are the key properties of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride?
4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride has a molecular weight of 2239.24 g/mol, XLogP of 1.10, 10 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride is sourced from PubChem (CID 158924369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).