4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione

C44H81F4N10O15P24-3 — CID 157116296

About 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione

4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 157116296) has the molecular formula C44H81F4N10O15P24-3 and a molecular weight of 1809.56 g/mol. Its IUPAC name is 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 157116296
• Molecular Formula: C44H81F4N10O15P24-3
• Molecular Weight: 1809.56 g/mol
• Exact Mass: 1808.95
• IUPAC Name: 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CC[C@@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.CC[C@]12CO[C@H]1[C@@H](F)[C@H](n1ccc(=O)[nH]c1=O)O2.CC[C@]12CO[C@H]1[C@@H](F)[C@H](n1ccc(N)nc1=O)O2.Nc1ccn([C@@H]2O[C@@]3(CO)CO[C@H]3[C@H]2F)c(=O)n1.[PH-]P(P(P)P)P(P(P)P)P(P)P.[PH-]P(P)P([PH-])P(P(P)P)P(P)P
• InChI: InChI=1S/C12H17FN2O4.C11H14FN3O3.C11H13FN2O4.C10H12FN3O4.H13P12.H12P12/c1-3-12(6-16)7(2)9(13)10(19-12)15-5-4-8(17)14-11(15)18;1-2-11-5-17-8(11)7(12)9(18-11)15-4-3-6(13)14-10(15)16;1-2-11-5-17-8(11)7(12)9(18-11)14-4-3-6(15)13-10(14)16;11-6-7-10(3-15,4-17-7)18-8(6)14-2-1-5(12)13-9(14)16;2*1-8(2)11(7)12(9(3)4)10(5)6/h4-5,7,9-10,16H,3,6H2,1-2H3,(H,14,17,18);3-4,7-9H,2,5H2,1H3,(H2,13,14,16);3-4,7-9H,2,5H2,1H3,(H,13,15,16);1-2,6-8,15H,3-4H2,(H2,12,13,16);7H,1-6H2;1,7H,2-6H2/q;;;;-1;-2/t7-,9+,10+,12-;2*7-,8+,9-,11+;6-,7+,8-,10+;;/m0111../s1
• InChIKey: BZIATABIYIGOMY-SLHVLWFESA-N
• XLogP: 13.17
• TPSA: 336.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1809.56
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 157116296) is 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione is CC[C@@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.CC[C@]12CO[C@H]1[C@@H](F)[C@H](n1ccc(=O)[nH]c1=O)O2.CC[C@]12CO[C@H]1[C@@H](F)[C@H](n1ccc(N)nc1=O)O2.Nc1ccn([C@@H]2O[C@@]3(CO)CO[C@H]3[C@H]2F)c(=O)n1.[PH-]P(P(P)P)P(P(P)P)P(P)P.[PH-]P(P)P([PH-])P(P(P)P)P(P)P.

What is the InChIKey of 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is BZIATABIYIGOMY-SLHVLWFESA-N. The full InChI is InChI=1S/C12H17FN2O4.C11H14FN3O3.C11H13FN2O4.C10H12FN3O4.H13P12.H12P12/c1-3-12(6-16)7(2)9(13)10(19-12)15-5-4-8(17)14-11(15)18;1-2-11-5-17-8(11)7(12)9(18-11)15-4-3-6(13)14-10(15)16;1-2-11-5-17-8(11)7(12)9(18-11)14-4-3-6(15)13-10(14)16;11-6-7-10(3-15,4-17-7)18-8(6)14-2-1-5(12)13-9(14)16;2*1-8(2)11(7)12(9(3)4)10(5)6/h4-5,7,9-10,16H,3,6H2,1-2H3,(H,14,17,18);3-4,7-9H,2,5H2,1H3,(H2,13,14,16);3-4,7-9H,2,5H2,1H3,(H,13,15,16);1-2,6-8,15H,3-4H2,(H2,12,13,16);7H,1-6H2;1,7H,2-6H2/q;;;;-1;-2/t7-,9+,10+,12-;2*7-,8+,9-,11+;6-,7+,8-,10+;;/m0111../s1.

What are the key properties of 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1809.56 g/mol, XLogP of 13.17, 17 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;1-[(1S,3R,4R,5R)-1-ethyl-4-fluoro-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 157116296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).