[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

C19H34O9P- — CID 59914606

About [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (PubChem CID 59914606) has the molecular formula C19H34O9P- and a molecular weight of 437.45 g/mol. Its IUPAC name is [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.

Molecular Properties

• Compound Name: [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
• PubChem CID: 59914606
• Molecular Formula: C19H34O9P-
• Molecular Weight: 437.45 g/mol
• Exact Mass: 437.19
• IUPAC Name: [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
• SMILES: CC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)C[C@H]1OC(C)C
• InChI: InChI=1S/C19H35O9P/c1-11(2)24-10-19(21)9-13(5)7-16(19)27-29(22,23)28-18(20)17-15(25-12(3)4)8-14(6)26-17/h11-17,21H,7-10H2,1-6H3,(H,22,23)/p-1/t13-,14-,15+,16+,17-,19-/m0/s1
• InChIKey: FAZSMGWCZOOTMH-WEVKLEIESA-M
• XLogP: 1.94
• TPSA: 123.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.45
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

The IUPAC name of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (CID 59914606) is [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.

What is the SMILES notation for [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

The canonical SMILES for [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is CC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)C[C@H]1OC(C)C.

What is the InChIKey of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

The InChIKey is FAZSMGWCZOOTMH-WEVKLEIESA-M. The full InChI is InChI=1S/C19H35O9P/c1-11(2)24-10-19(21)9-13(5)7-16(19)27-29(22,23)28-18(20)17-15(25-12(3)4)8-14(6)26-17/h11-17,21H,7-10H2,1-6H3,(H,22,23)/p-1/t13-,14-,15+,16+,17-,19-/m0/s1.

What are the key properties of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate has a molecular weight of 437.45 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is sourced from PubChem (CID 59914606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).