[(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

C18H30FN7O6P+ — CID 154993427

About [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

[(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium (PubChem CID 154993427) has the molecular formula C18H30FN7O6P+ and a molecular weight of 490.45 g/mol. Its IUPAC name is [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium.

Molecular Properties

• Compound Name: [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
• PubChem CID: 154993427
• Molecular Formula: C18H30FN7O6P+
• Molecular Weight: 490.45 g/mol
• Exact Mass: 490.20
• IUPAC Name: [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
• SMILES: CNc1nc(N)nc2c1ncn2[C@](C)(F)[C@H](O)[C@@H](CO[P+](=O)N[C@H](C)C(=O)OC(C)C)OC
• InChI: InChI=1S/C18H30FN7O6P/c1-9(2)32-16(28)10(3)25-33(29)31-7-11(30-6)13(27)18(4,19)26-8-22-12-14(21-5)23-17(20)24-15(12)26/h8-11,13,27H,7H2,1-6H3,(H,25,29)(H3,20,21,23,24)/q+1/t10-,11-,13-,18+/m1/s1
• InChIKey: MHUSGLNRMZKSOJ-WLBIBMPGSA-N
• XLogP: 1.07
• TPSA: 175.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.45
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

The IUPAC name of [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium (CID 154993427) is [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium.

What is the SMILES notation for [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

The canonical SMILES for [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium is CNc1nc(N)nc2c1ncn2[C@](C)(F)[C@H](O)[C@@H](CO[P+](=O)N[C@H](C)C(=O)OC(C)C)OC.

What is the InChIKey of [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

The InChIKey is MHUSGLNRMZKSOJ-WLBIBMPGSA-N. The full InChI is InChI=1S/C18H30FN7O6P/c1-9(2)32-16(28)10(3)25-33(29)31-7-11(30-6)13(27)18(4,19)26-8-22-12-14(21-5)23-17(20)24-15(12)26/h8-11,13,27H,7H2,1-6H3,(H,25,29)(H3,20,21,23,24)/q+1/t10-,11-,13-,18+/m1/s1.

What are the key properties of [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

[(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium has a molecular weight of 490.45 g/mol, XLogP of 1.07, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methoxypentoxy]-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium is sourced from PubChem (CID 154993427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).