4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)

C84H114F6IN20O32P — CID 161354665

About 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)

4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane) (PubChem CID 161354665) has the molecular formula C84H114F6IN20O32P and a molecular weight of 2196.85 g/mol. Its IUPAC name is 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane).

Molecular Properties

• Compound Name: 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)
• PubChem CID: 161354665
• Molecular Formula: C84H114F6IN20O32P
• Molecular Weight: 2196.85 g/mol
• Exact Mass: 2195.70
• IUPAC Name: 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)
• SMILES: C=CC(=O)OC.COC(=O)/C=C/c1cn(C2OC(CO)C(O)C2F)c(=O)nc1N.Nc1ccn(C2OC(CO)C(O)C2F)c(=O)n1.Nc1nc(=O)n(C2OC(CO)C(O)C2F)cc1I.O=c1ccc2cn(C3OC(CO)C(O)C3F)c(=O)nc2[nH]1.[2H]C.[2H]CC1OC(n2cc3ccc(=O)[nH]c3nc2=O)C(F)C1O.[2H]CC1OC(n2cc3ccc(=O)[nH]c3nc2=O)C(F)C1OP(OCC[N+]#[C-])N(C(C)C)C(C)C.[3H]C.[3H]OC.[3H]OC
• InChI: InChI=1S/C21H29FN5O5P.C13H16FN3O6.C12H12FN3O5.C12H12FN3O4.C9H11FIN3O4.C9H12FN3O4.C4H6O2.2CH4O.2CH4/c1-12(2)27(13(3)4)33(30-10-9-23-6)32-18-14(5)31-20(17(18)22)26-11-15-7-8-16(28)24-19(15)25-21(26)29;1-22-8(19)3-2-6-4-17(13(21)16-11(6)15)12-9(14)10(20)7(5-18)23-12;13-8-9(19)6(4-17)21-11(8)16-3-5-1-2-7(18)14-10(5)15-12(16)20;1-5-9(18)8(13)11(20-5)16-4-6-2-3-7(17)14-10(6)15-12(16)19;10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17;10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16;1-3-4(5)6-2;2*1-2;;/h7-8,11-14,17-18,20H,9-10H2,1-5H3,(H,24,25,28,29);2-4,7,9-10,12,18,20H,5H2,1H3,(H2,15,16,21);1-3,6,8-9,11,17,19H,4H2,(H,14,15,18,20);2-5,8-9,11,18H,1H3,(H,14,15,17,19);1,4-6,8,15-16H,2H2,(H2,12,13,17);1-2,4,6-8,14-15H,3H2,(H2,11,12,16);3H,1H2,2H3;2*2H,1H3;2*1H4/b;3-2+;;;;;;;;;/i5D;;;1D;;;;2*2T;1T;1D
• InChIKey: VOJMOQNNRKMUER-LBRHWXIOSA-N
• XLogP: -1.75
• TPSA: 742.55 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 48
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.85
LogP ≤ 5	-1.75
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)?

The IUPAC name of 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane) (CID 161354665) is 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane).

What is the SMILES notation for 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)?

The canonical SMILES for 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane) is C=CC(=O)OC.COC(=O)/C=C/c1cn(C2OC(CO)C(O)C2F)c(=O)nc1N.Nc1ccn(C2OC(CO)C(O)C2F)c(=O)n1.Nc1nc(=O)n(C2OC(CO)C(O)C2F)cc1I.O=c1ccc2cn(C3OC(CO)C(O)C3F)c(=O)nc2[nH]1.[2H]C.[2H]CC1OC(n2cc3ccc(=O)[nH]c3nc2=O)C(F)C1O.[2H]CC1OC(n2cc3ccc(=O)[nH]c3nc2=O)C(F)C1OP(OCC[N+]#[C-])N(C(C)C)C(C)C.[3H]C.[3H]OC.[3H]OC.

What is the InChIKey of 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)?

The InChIKey is VOJMOQNNRKMUER-LBRHWXIOSA-N. The full InChI is InChI=1S/C21H29FN5O5P.C13H16FN3O6.C12H12FN3O5.C12H12FN3O4.C9H11FIN3O4.C9H12FN3O4.C4H6O2.2CH4O.2CH4/c1-12(2)27(13(3)4)33(30-10-9-23-6)32-18-14(5)31-20(17(18)22)26-11-15-7-8-16(28)24-19(15)25-21(26)29;1-22-8(19)3-2-6-4-17(13(21)16-11(6)15)12-9(14)10(20)7(5-18)23-12;13-8-9(19)6(4-17)21-11(8)16-3-5-1-2-7(18)14-10(5)15-12(16)20;1-5-9(18)8(13)11(20-5)16-4-6-2-3-7(17)14-10(6)15-12(16)19;10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17;10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16;1-3-4(5)6-2;2*1-2;;/h7-8,11-14,17-18,20H,9-10H2,1-5H3,(H,24,25,28,29);2-4,7,9-10,12,18,20H,5H2,1H3,(H2,15,16,21);1-3,6,8-9,11,17,19H,4H2,(H,14,15,18,20);2-5,8-9,11,18H,1H3,(H,14,15,17,19);1,4-6,8,15-16H,2H2,(H2,12,13,17);1-2,4,6-8,14-15H,3H2,(H2,11,12,16);3H,1H2,2H3;2*2H,1H3;2*1H4/b;3-2+;;;;;;;;;/i5D;;;1D;;;;2*2T;1T;1D.

What are the key properties of 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane)?

4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane) has a molecular weight of 2196.85 g/mol, XLogP of -1.75, 23 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;deuteriomethane;3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione;methyl (E)-3-[4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate;methyl prop-2-enoate;tritiomethane;bis(tritiooxymethane) is sourced from PubChem (CID 161354665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).