2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate

C27H56N6O11P2 — CID 149418489

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate (PubChem CID 149418489) has the molecular formula C27H56N6O11P2 and a molecular weight of 702.72 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
• PubChem CID: 149418489
• Molecular Formula: C27H56N6O11P2
• Molecular Weight: 702.72 g/mol
• Exact Mass: 702.35
• IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
• SMILES: C[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2C[C@@H](COP(=O)(N(C)C)N3CCN(C(=O)OCCOCCOCCO)CC3)O[C@@H](C)C2)O1
• InChI: InChI=1S/C27H56N6O11P2/c1-23-17-28-18-25(43-23)21-41-46(37,30(5)6)33-19-24(2)44-26(20-33)22-42-45(36,29(3)4)32-9-7-31(8-10-32)27(35)40-16-15-39-14-13-38-12-11-34/h23-26,28,34H,7-22H2,1-6H3/t23-,24-,25-,26-,45?,46?/m0/s1
• InChIKey: YSQTVFMINYLYDT-ZOKFZJAISA-N
• XLogP: 0.60
• TPSA: 164.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.72
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?

The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate (CID 149418489) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate.

What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?

The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate is C[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2C[C@@H](COP(=O)(N(C)C)N3CCN(C(=O)OCCOCCOCCO)CC3)O[C@@H](C)C2)O1.

What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?

The InChIKey is YSQTVFMINYLYDT-ZOKFZJAISA-N. The full InChI is InChI=1S/C27H56N6O11P2/c1-23-17-28-18-25(43-23)21-41-46(37,30(5)6)33-19-24(2)44-26(20-33)22-42-45(36,29(3)4)32-9-7-31(8-10-32)27(35)40-16-15-39-14-13-38-12-11-34/h23-26,28,34H,7-22H2,1-6H3/t23-,24-,25-,26-,45?,46?/m0/s1.

What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate has a molecular weight of 702.72 g/mol, XLogP of 0.60, 18 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate is sourced from PubChem (CID 149418489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).