[(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite

C25H40NO6P — CID 58528122

About [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite

[(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite (PubChem CID 58528122) has the molecular formula C25H40NO6P and a molecular weight of 481.57 g/mol. Its IUPAC name is [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite.

Molecular Properties

• Compound Name: [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite
• PubChem CID: 58528122
• Molecular Formula: C25H40NO6P
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.26
• IUPAC Name: [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite
• SMILES: CC[C@H]1O[C@@H](C)CC1OP(OC[C@H]1O[C@@H](C)CC1OC)O[C@H](c1ccccc1)C1CCCN1
• InChI: InChI=1S/C25H40NO6P/c1-5-21-23(15-18(3)29-21)31-33(28-16-24-22(27-4)14-17(2)30-24)32-25(20-12-9-13-26-20)19-10-7-6-8-11-19/h6-8,10-11,17-18,20-26H,5,9,12-16H2,1-4H3/t17-,18-,20?,21+,22?,23?,24+,25+,33?/m0/s1
• InChIKey: MRGSPAVJMLGSSQ-ZCUIIKJXSA-N
• XLogP: 4.90
• TPSA: 67.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
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 [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite?

The IUPAC name of [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite (CID 58528122) is [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite.

What is the SMILES notation for [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite?

The canonical SMILES for [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite is CC[C@H]1O[C@@H](C)CC1OP(OC[C@H]1O[C@@H](C)CC1OC)O[C@H](c1ccccc1)C1CCCN1.

What is the InChIKey of [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite?

The InChIKey is MRGSPAVJMLGSSQ-ZCUIIKJXSA-N. The full InChI is InChI=1S/C25H40NO6P/c1-5-21-23(15-18(3)29-21)31-33(28-16-24-22(27-4)14-17(2)30-24)32-25(20-12-9-13-26-20)19-10-7-6-8-11-19/h6-8,10-11,17-18,20-26H,5,9,12-16H2,1-4H3/t17-,18-,20?,21+,22?,23?,24+,25+,33?/m0/s1.

What are the key properties of [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite?

[(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite has a molecular weight of 481.57 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5S)-2-ethyl-5-methyloxolan-3-yl] [(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methyl [(R)-phenyl(pyrrolidin-2-yl)methyl] phosphite is sourced from PubChem (CID 58528122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).