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

C44H74FN7O11P- — CID 177291447

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

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate (PubChem CID 177291447) has the molecular formula C44H74FN7O11P- and a molecular weight of 927.09 g/mol. Its IUPAC name is [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate.

Molecular Properties

• Compound Name: [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate
• PubChem CID: 177291447
• Molecular Formula: C44H74FN7O11P-
• Molecular Weight: 927.09 g/mol
• Exact Mass: 926.52
• IUPAC Name: [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate
• SMILES: CCCCCCCCCCCCCCCCCN(C[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)C1OP(=O)([O-])OC(C)C)C(=O)CC1C(OC)[C@H](n2ccc(N)nc2=O)O[C@@H]1COC(C)C
• InChI: InChI=1S/C44H75FN7O11P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-50(28-33-40(63-64(56,57)62-31(4)5)38(45)41(60-33)51-25-22-35(46)48-43(51)54)37(53)27-32-34(29-59-30(2)3)61-42(39(32)58-6)52-26-23-36(47)49-44(52)55/h22-23,25-26,30-34,38-42H,7-21,24,27-29H2,1-6H3,(H,56,57)(H2,46,48,54)(H2,47,49,55)/p-1/t32?,33-,34-,38?,39?,40?,41-,42-/m1/s1
• InChIKey: GPXZJLFNCHERBB-FCDFGTGBSA-M
• XLogP: 6.22
• TPSA: 237.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.09
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate (CID 177291447) is [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate.

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

The canonical SMILES for [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate is CCCCCCCCCCCCCCCCCN(C[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)C1OP(=O)([O-])OC(C)C)C(=O)CC1C(OC)[C@H](n2ccc(N)nc2=O)O[C@@H]1COC(C)C.

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

The InChIKey is GPXZJLFNCHERBB-FCDFGTGBSA-M. The full InChI is InChI=1S/C44H75FN7O11P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-50(28-33-40(63-64(56,57)62-31(4)5)38(45)41(60-33)51-25-22-35(46)48-43(51)54)37(53)27-32-34(29-59-30(2)3)61-42(39(32)58-6)52-26-23-36(47)49-44(52)55/h22-23,25-26,30-34,38-42H,7-21,24,27-29H2,1-6H3,(H,56,57)(H2,46,48,54)(H2,47,49,55)/p-1/t32?,33-,34-,38?,39?,40?,41-,42-/m1/s1.

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

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate has a molecular weight of 927.09 g/mol, XLogP of 6.22, 30 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(propan-2-yloxymethyl)oxolan-3-yl]acetyl]-heptadecylamino]methyl]-4-fluorooxolan-3-yl] propan-2-yl phosphate is sourced from PubChem (CID 177291447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).