[(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol

C6H11O7P — CID 100950413

About [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol

[(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol (PubChem CID 100950413) has the molecular formula C6H11O7P and a molecular weight of 226.12 g/mol. Its IUPAC name is [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol.

Molecular Properties

• Compound Name: [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol
• PubChem CID: 100950413
• Molecular Formula: C6H11O7P
• Molecular Weight: 226.12 g/mol
• Exact Mass: 226.02
• IUPAC Name: [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol
• SMILES: CO[C@H]1[C@@H]2O[C@H](CO)[C@H]1OP(=O)(O)O2
• InChI: InChI=1S/C6H11O7P/c1-10-5-4-3(2-7)11-6(5)13-14(8,9)12-4/h3-7H,2H2,1H3,(H,8,9)/t3-,4-,5-,6-/m1/s1
• InChIKey: VDNWSDZIRWMDCC-KVTDHHQDSA-N
• XLogP: -0.77
• TPSA: 94.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.12
LogP ≤ 5	-0.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol?

The IUPAC name of [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol (CID 100950413) is [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol.

What is the SMILES notation for [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol?

The canonical SMILES for [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol is CO[C@H]1[C@@H]2O[C@H](CO)[C@H]1OP(=O)(O)O2.

What is the InChIKey of [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol?

The InChIKey is VDNWSDZIRWMDCC-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H11O7P/c1-10-5-4-3(2-7)11-6(5)13-14(8,9)12-4/h3-7H,2H2,1H3,(H,8,9)/t3-,4-,5-,6-/m1/s1.

What are the key properties of [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol?

[(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol has a molecular weight of 226.12 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol is sourced from PubChem (CID 100950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).