(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one

C6H7O10PSn — CID 154637647

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one (PubChem CID 154637647) has the molecular formula C6H7O10PSn and a molecular weight of 388.80 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one.

Molecular Properties

• Compound Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one
• PubChem CID: 154637647
• Molecular Formula: C6H7O10PSn
• Molecular Weight: 388.80 g/mol
• Exact Mass: 389.88
• IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one
• SMILES: O=C1O[C@H]([C@@H](O)CO)C(O[Sn]23OP(=O)(O2)O3)=C1O
• InChI: InChI=1S/C6H8O6.H3O4P.Sn/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4;/h2,5,7-10H,1H2;(H3,1,2,3,4);/q;;+4/p-4/t2-,5+;;/m0../s1
• InChIKey: DSIZEQRMRUHQHG-PQYRJTSOSA-J
• XLogP: -1.33
• TPSA: 140.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.80
LogP ≤ 5	-1.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one?

The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one (CID 154637647) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one.

What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one?

The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(O[Sn]23OP(=O)(O2)O3)=C1O.

What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one?

The InChIKey is DSIZEQRMRUHQHG-PQYRJTSOSA-J. The full InChI is InChI=1S/C6H8O6.H3O4P.Sn/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4;/h2,5,7-10H,1H2;(H3,1,2,3,4);/q;;+4/p-4/t2-,5+;;/m0../s1.

What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one?

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one has a molecular weight of 388.80 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[(1-oxo-2,4,5-trioxa-1λ5-phospha-3-stannabicyclo[1.1.1]pentan-3-yl)oxy]-2H-furan-5-one is sourced from PubChem (CID 154637647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).