4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane

C70H104F3N10O16P14- — CID 160504687

About 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane

4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane (PubChem CID 160504687) has the molecular formula C70H104F3N10O16P14- and a molecular weight of 1832.29 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane
• PubChem CID: 160504687
• Molecular Formula: C70H104F3N10O16P14-
• Molecular Weight: 1832.29 g/mol
• Exact Mass: 1831.39
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane
• SMILES: C.C.CC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2ccc(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)nc2=O)[C@H](F)[C@@H]1C.C[C@@H](C(=O)OC1CCCCC1)N1C[C@]2(COP1(=O)Oc1ccccc1)O[C@@H](n1ccc(N)nc1=O)[C@H](F)[C@@H]2O.P[P-]P(P(P)P)P(P(P)P)P(P)P
• InChI: InChI=1S/C32H34FN3O4.C25H32FN4O8P.C11H16FN3O4.2CH4.H14P13/c1-4-31(21-37)22(2)28(33)29(40-31)36-20-19-27(34-30(36)38)35-32(23-11-7-5-8-12-23,24-13-9-6-10-14-24)25-15-17-26(39-3)18-16-25;1-16(23(32)36-17-8-4-2-5-9-17)30-14-25(15-35-39(30,34)38-18-10-6-3-7-11-18)21(31)20(26)22(37-25)29-13-12-19(27)28-24(29)33;1-2-11(5-16)8(17)7(12)9(19-11)15-4-3-6(13)14-10(15)18;;;1-8-12(9(2)3)13(10(4)5)11(6)7/h5-20,22,28-29,37H,4,21H2,1-3H3,(H,34,35,38);3,6-7,10-13,16-17,20-22,31H,2,4-5,8-9,14-15H2,1H3,(H2,27,28,33);3-4,7-9,16-17H,2,5H2,1H3,(H2,13,14,18);2*1H4;1-7H2/q;;;;;-1/t22-,28+,29+,31+;16-,20+,21-,22+,25+,39?;7-,8+,9-,11-;;;/m001.../s1
• InChIKey: PSJDLIZEWHEQGO-XOMDQHMKSA-N
• XLogP: 15.79
• TPSA: 351.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1832.29
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane?

The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane (CID 160504687) is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane.

What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane?

The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane is C.C.CC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2ccc(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)nc2=O)[C@H](F)[C@@H]1C.C[C@@H](C(=O)OC1CCCCC1)N1C[C@]2(COP1(=O)Oc1ccccc1)O[C@@H](n1ccc(N)nc1=O)[C@H](F)[C@@H]2O.P[P-]P(P(P)P)P(P(P)P)P(P)P.

What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane?

The InChIKey is PSJDLIZEWHEQGO-XOMDQHMKSA-N. The full InChI is InChI=1S/C32H34FN3O4.C25H32FN4O8P.C11H16FN3O4.2CH4.H14P13/c1-4-31(21-37)22(2)28(33)29(40-31)36-20-19-27(34-30(36)38)35-32(23-11-7-5-8-12-23,24-13-9-6-10-14-24)25-15-17-26(39-3)18-16-25;1-16(23(32)36-17-8-4-2-5-9-17)30-14-25(15-35-39(30,34)38-18-10-6-3-7-11-18)21(31)20(26)22(37-25)29-13-12-19(27)28-24(29)33;1-2-11(5-16)8(17)7(12)9(19-11)15-4-3-6(13)14-10(15)18;;;1-8-12(9(2)3)13(10(4)5)11(6)7/h5-20,22,28-29,37H,4,21H2,1-3H3,(H,34,35,38);3,6-7,10-13,16-17,20-22,31H,2,4-5,8-9,14-15H2,1H3,(H2,27,28,33);3-4,7-9,16-17H,2,5H2,1H3,(H2,13,14,18);2*1H4;1-7H2/q;;;;;-1/t22-,28+,29+,31+;16-,20+,21-,22+,25+,39?;7-,8+,9-,11-;;;/m001.../s1.

What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane?

4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane has a molecular weight of 1832.29 g/mol, XLogP of 15.79, 23 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-fluoro-4-hydroxy-8-oxo-8-phenoxy-1,9-dioxa-7-aza-8λ5-phosphaspiro[4.5]decan-7-yl]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane is sourced from PubChem (CID 160504687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).