4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel

C66H97Cl2F5N12Ni3O21P3-3 — CID 158358635

About 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel

4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel (PubChem CID 158358635) has the molecular formula C66H97Cl2F5N12Ni3O21P3-3 and a molecular weight of 1829.46 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel
• PubChem CID: 158358635
• Molecular Formula: C66H97Cl2F5N12Ni3O21P3-3
• Molecular Weight: 1829.46 g/mol
• Exact Mass: 1825.35
• IUPAC Name: 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel
• SMILES: CC1(F)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.CC1(F)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(C)(F)[C@H]1O.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(C)(F)[C@H]1OPC.CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C(C)(F)[C@H]1O.CPCl.CPCl.[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni]
• InChI: InChI=1S/C18H20FN3O4.C12H18FN2O4P.C11H15FN2O4.C10H14FN3O4.C10H13FN2O5.2CH4ClP.3CH3.3Ni/c1-3-12-14(23)18(2,19)16(26-12)22-10-9-13(21-17(22)25)20-15(24)11-7-5-4-6-8-11;1-4-7-9(19-20-3)12(2,13)10(18-7)15-6-5-8(16)14-11(15)17;1-3-6-8(16)11(2,12)9(18-6)14-5-4-7(15)13-10(14)17;1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17;1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17;2*1-3-2;;;;;;/h4-10,12,14,16,23H,3H2,1-2H3,(H,20,21,24,25);5-7,9-10,20H,4H2,1-3H3,(H,14,16,17);4-6,8-9,16H,3H2,1-2H3,(H,13,15,17);2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17);2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17);2*3H,1H3;3*1H3;;;/q;;;;;;;3*-1;;;/t12-,14+,16-,18?;7-,9+,10-,12?;6-,8+,9-,11?;2*5-,7+,8-,10?;;;;;;;;/m11111......../s1
• InChIKey: SZFHDTXUVIVLQI-RCPGQNBSSA-N
• XLogP: 4.57
• TPSA: 466.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.46
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel?

The IUPAC name of 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel (CID 158358635) is 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel.

What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel?

The canonical SMILES for 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel is CC1(F)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.CC1(F)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(C)(F)[C@H]1O.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(C)(F)[C@H]1OPC.CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C(C)(F)[C@H]1O.CPCl.CPCl.[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni].

What is the InChIKey of 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel?

The InChIKey is SZFHDTXUVIVLQI-RCPGQNBSSA-N. The full InChI is InChI=1S/C18H20FN3O4.C12H18FN2O4P.C11H15FN2O4.C10H14FN3O4.C10H13FN2O5.2CH4ClP.3CH3.3Ni/c1-3-12-14(23)18(2,19)16(26-12)22-10-9-13(21-17(22)25)20-15(24)11-7-5-4-6-8-11;1-4-7-9(19-20-3)12(2,13)10(18-7)15-6-5-8(16)14-11(15)17;1-3-6-8(16)11(2,12)9(18-6)14-5-4-7(15)13-10(14)17;1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17;1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17;2*1-3-2;;;;;;/h4-10,12,14,16,23H,3H2,1-2H3,(H,20,21,24,25);5-7,9-10,20H,4H2,1-3H3,(H,14,16,17);4-6,8-9,16H,3H2,1-2H3,(H,13,15,17);2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17);2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17);2*3H,1H3;3*1H3;;;/q;;;;;;;3*-1;;;/t12-,14+,16-,18?;7-,9+,10-,12?;6-,8+,9-,11?;2*5-,7+,8-,10?;;;;;;;;/m11111......../s1.

What are the key properties of 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel?

4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel has a molecular weight of 1829.46 g/mol, XLogP of 4.57, 14 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel is sourced from PubChem (CID 158358635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).