[(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate

C27H39FN6O12P- — CID 177291572

About [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate

[(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate (PubChem CID 177291572) has the molecular formula C27H39FN6O12P- and a molecular weight of 689.61 g/mol. Its IUPAC name is [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate.

Molecular Properties

• Compound Name: [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate
• PubChem CID: 177291572
• Molecular Formula: C27H39FN6O12P-
• Molecular Weight: 689.61 g/mol
• Exact Mass: 689.24
• IUPAC Name: [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate
• SMILES: CO[C@H]1C(n2ccc(N)nc2=O)OC(COC(C)C)[C@H]1CC(=O)NCC1OC(n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1OP(=O)([O-])OC(C)C
• InChI: InChI=1S/C27H40FN6O12P/c1-13(2)42-12-17-15(22(41-5)25(44-17)34-8-6-18(29)31-26(34)37)10-20(36)30-11-16-23(46-47(39,40)45-14(3)4)21(28)24(43-16)33-9-7-19(35)32-27(33)38/h6-9,13-17,21-25H,10-12H2,1-5H3,(H,30,36)(H,39,40)(H2,29,31,37)(H,32,35,38)/p-1/t15-,16?,17?,21-,22-,23-,24?,25?/m1/s1
• InChIKey: KUSIQKMYNPALFE-KBZDRTGKSA-M
• XLogP: -0.65
• TPSA: 240.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.61
LogP ≤ 5	-0.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate?

The IUPAC name of [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate (CID 177291572) is [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate.

What is the SMILES notation for [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate?

The canonical SMILES for [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate is CO[C@H]1C(n2ccc(N)nc2=O)OC(COC(C)C)[C@H]1CC(=O)NCC1OC(n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1OP(=O)([O-])OC(C)C.

What is the InChIKey of [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate?

The InChIKey is KUSIQKMYNPALFE-KBZDRTGKSA-M. The full InChI is InChI=1S/C27H40FN6O12P/c1-13(2)42-12-17-15(22(41-5)25(44-17)34-8-6-18(29)31-26(34)37)10-20(36)30-11-16-23(46-47(39,40)45-14(3)4)21(28)24(43-16)33-9-7-19(35)32-27(33)38/h6-9,13-17,21-25H,10-12H2,1-5H3,(H,30,36)(H,39,40)(H2,29,31,37)(H,32,35,38)/p-1/t15-,16?,17?,21-,22-,23-,24?,25?/m1/s1.

What are the key properties of [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate?

[(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate has a molecular weight of 689.61 g/mol, XLogP of -0.65, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-2-[[[2-[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]amino]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl] propan-2-yl phosphate is sourced from PubChem (CID 177291572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).