[(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

C14H24N3O11P — CID 102410730

About [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

[(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid (PubChem CID 102410730) has the molecular formula C14H24N3O11P and a molecular weight of 441.33 g/mol. Its IUPAC name is [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid.

Molecular Properties

• Compound Name: [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid
• PubChem CID: 102410730
• Molecular Formula: C14H24N3O11P
• Molecular Weight: 441.33 g/mol
• Exact Mass: 441.11
• IUPAC Name: [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid
• SMILES: N[C@H](CP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H](O)CO
• InChI: InChI=1S/C14H24N3O11P/c15-6(10(21)7(19)3-18)5-29(25,26)27-4-8-11(22)12(23)13(28-8)17-2-1-9(20)16-14(17)24/h1-2,6-8,10-13,18-19,21-23H,3-5,15H2,(H,25,26)(H,16,20,24)/t6-,7+,8-,10+,11-,12-,13-/m1/s1
• InChIKey: RTNPODULOGCQSO-PHOZYCPSSA-N
• XLogP: -4.60
• TPSA: 237.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	441.33
LogP ≤ 5	-4.60
H-Bond Donors ≤ 5	8
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 [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid?

The IUPAC name of [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid (CID 102410730) is [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid.

What is the SMILES notation for [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid?

The canonical SMILES for [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid is N[C@H](CP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H](O)CO.

What is the InChIKey of [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid?

The InChIKey is RTNPODULOGCQSO-PHOZYCPSSA-N. The full InChI is InChI=1S/C14H24N3O11P/c15-6(10(21)7(19)3-18)5-29(25,26)27-4-8-11(22)12(23)13(28-8)17-2-1-9(20)16-14(17)24/h1-2,6-8,10-13,18-19,21-23H,3-5,15H2,(H,25,26)(H,16,20,24)/t6-,7+,8-,10+,11-,12-,13-/m1/s1.

What are the key properties of [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid?

[(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid has a molecular weight of 441.33 g/mol, XLogP of -4.60, 9 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4S)-2-amino-3,4,5-trihydroxypentyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid is sourced from PubChem (CID 102410730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).