(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid

C19H37O7PS — CID 22965159

About (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid

(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid (PubChem CID 22965159) has the molecular formula C19H37O7PS and a molecular weight of 440.54 g/mol. Its IUPAC name is (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid.

Molecular Properties

• Compound Name: (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
• PubChem CID: 22965159
• Molecular Formula: C19H37O7PS
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.20
• IUPAC Name: (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
• SMILES: CC(C)OCC1OC(C)CC1SP(=O)(O)OCC1C(OC(C)C)CC(C)C1O
• InChI: InChI=1S/C19H37O7PS/c1-11(2)23-10-17-18(8-14(6)26-17)28-27(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20/h11-20H,7-10H2,1-6H3,(H,21,22)
• InChIKey: WNLCRLGMDZDJQM-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 94.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?

The IUPAC name of (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid (CID 22965159) is (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid.

What is the SMILES notation for (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?

The canonical SMILES for (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid is CC(C)OCC1OC(C)CC1SP(=O)(O)OCC1C(OC(C)C)CC(C)C1O.

What is the InChIKey of (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?

The InChIKey is WNLCRLGMDZDJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37O7PS/c1-11(2)23-10-17-18(8-14(6)26-17)28-27(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20/h11-20H,7-10H2,1-6H3,(H,21,22).

What are the key properties of (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?

(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid has a molecular weight of 440.54 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid is sourced from PubChem (CID 22965159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).