N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine

C18H38NO7P — CID 102094013

About N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine

N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 102094013) has the molecular formula C18H38NO7P and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
• PubChem CID: 102094013
• Molecular Formula: C18H38NO7P
• Molecular Weight: 411.48 g/mol
• Exact Mass: 411.24
• IUPAC Name: N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
• SMILES: CCOP(OC1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC)N(C(C)C)C(C)C
• InChI: InChI=1S/C18H38NO7P/c1-10-24-27(19(12(2)3)13(4)5)26-18-17(23-9)16(22-8)15(21-7)14(25-18)11-20-6/h12-18H,10-11H2,1-9H3/t14-,15-,16+,17-,18?,27?/m1/s1
• InChIKey: JEWQIGWMXCYRLI-ZGVGCMLSSA-N
• XLogP: 2.80
• TPSA: 67.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?

The IUPAC name of N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine (CID 102094013) is N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?

The canonical SMILES for N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine is CCOP(OC1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC)N(C(C)C)C(C)C.

What is the InChIKey of N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?

The InChIKey is JEWQIGWMXCYRLI-ZGVGCMLSSA-N. The full InChI is InChI=1S/C18H38NO7P/c1-10-24-27(19(12(2)3)13(4)5)26-18-17(23-9)16(22-8)15(21-7)14(25-18)11-20-6/h12-18H,10-11H2,1-9H3/t14-,15-,16+,17-,18?,27?/m1/s1.

What are the key properties of N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?

N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 411.48 g/mol, XLogP of 2.80, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 102094013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).