[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

C19H35O10P — CID 22965107

About [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (PubChem CID 22965107) has the molecular formula C19H35O10P and a molecular weight of 454.45 g/mol. Its IUPAC name is [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.

Molecular Properties

• Compound Name: [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
• PubChem CID: 22965107
• Molecular Formula: C19H35O10P
• Molecular Weight: 454.45 g/mol
• Exact Mass: 454.20
• IUPAC Name: [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
• SMILES: CC(C)OCC1(CO)OC(C)CC1OP(=O)(O)OC(=O)C1OC(C)CC1OC(C)C
• InChI: InChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23)
• InChIKey: XTZDHJTXSVEBAF-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 129.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.45
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
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 [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?

The IUPAC name of [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (CID 22965107) is [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.

What is the SMILES notation for [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?

The canonical SMILES for [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is CC(C)OCC1(CO)OC(C)CC1OP(=O)(O)OC(=O)C1OC(C)CC1OC(C)C.

What is the InChIKey of [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?

The InChIKey is XTZDHJTXSVEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23).

What are the key properties of [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?

[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate has a molecular weight of 454.45 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is sourced from PubChem (CID 22965107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).