[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate

C19H37O8P — CID 59925342

About [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate

[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate (PubChem CID 59925342) has the molecular formula C19H37O8P and a molecular weight of 424.47 g/mol. Its IUPAC name is [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate.

Molecular Properties

• Compound Name: [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate
• PubChem CID: 59925342
• Molecular Formula: C19H37O8P
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.22
• IUPAC Name: [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate
• SMILES: CC(C)OC[C@H]1O[C@@H](C)CC1OP(=O)(O)OC[C@@H]1C(OC(C)C)C[C@H](C)C1O
• InChI: InChI=1S/C19H37O8P/c1-11(2)23-10-18-17(8-14(6)26-18)27-28(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)/t13-,14-,15+,16?,17?,18+,19?/m0/s1
• InChIKey: SEVNXCGRDZJIPG-NYKIRBBISA-N
• XLogP: 2.90
• TPSA: 103.68 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	424.47
LogP ≤ 5	2.90
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 [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate?

The IUPAC name of [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate (CID 59925342) is [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate.

What is the SMILES notation for [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate?

The canonical SMILES for [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate is CC(C)OC[C@H]1O[C@@H](C)CC1OP(=O)(O)OC[C@@H]1C(OC(C)C)C[C@H](C)C1O.

What is the InChIKey of [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate?

The InChIKey is SEVNXCGRDZJIPG-NYKIRBBISA-N. The full InChI is InChI=1S/C19H37O8P/c1-11(2)23-10-18-17(8-14(6)26-18)27-28(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)/t13-,14-,15+,16?,17?,18+,19?/m0/s1.

What are the key properties of [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate?

[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate has a molecular weight of 424.47 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 59925342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).