[(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine

C72H147N3O13P2 — CID 162258233

About [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine

[(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine (PubChem CID 162258233) has the molecular formula C72H147N3O13P2 and a molecular weight of 1324.92 g/mol. Its IUPAC name is [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine.

Molecular Properties

• Compound Name: [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine
• PubChem CID: 162258233
• Molecular Formula: C72H147N3O13P2
• Molecular Weight: 1324.92 g/mol
• Exact Mass: 1324.04
• IUPAC Name: [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine
• SMILES: C=CCOP(=O)(OCCC)OC[C@H](COCC[C@H](O)CCCCCCC)NC(=O)CCCCCCCCCCCCC.C=CCOP(OCCC)N(C(C)C)C(C)C.CCCCCCCCCCCCCC(=O)N[C@H](CO)COCC[C@H](O)CCCCCCC
• InChI: InChI=1S/C33H66NO7P.C27H55NO4.C12H26NO2P/c1-5-9-11-13-14-15-16-17-18-20-22-24-33(36)34-31(30-41-42(37,39-26-7-3)40-27-8-4)29-38-28-25-32(35)23-21-19-12-10-6-2;1-3-5-7-9-10-11-12-13-14-16-18-20-27(31)28-25(23-29)24-32-22-21-26(30)19-17-15-8-6-4-2;1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h7,31-32,35H,3,5-6,8-30H2,1-2,4H3,(H,34,36);25-26,29-30H,3-24H2,1-2H3,(H,28,31);7,11-12H,1,8-10H2,2-6H3/t31-,32+,42?;25-,26-;/m01./s1
• InChIKey: ZYWNGNNAIGBWLM-KPOGFXBKSA-N
• XLogP: 19.31
• TPSA: 203.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 67
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1324.92
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine?

The IUPAC name of [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine (CID 162258233) is [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine.

What is the SMILES notation for [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine?

The canonical SMILES for [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine is C=CCOP(=O)(OCCC)OC[C@H](COCC[C@H](O)CCCCCCC)NC(=O)CCCCCCCCCCCCC.C=CCOP(OCCC)N(C(C)C)C(C)C.CCCCCCCCCCCCCC(=O)N[C@H](CO)COCC[C@H](O)CCCCCCC.

What is the InChIKey of [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine?

The InChIKey is ZYWNGNNAIGBWLM-KPOGFXBKSA-N. The full InChI is InChI=1S/C33H66NO7P.C27H55NO4.C12H26NO2P/c1-5-9-11-13-14-15-16-17-18-20-22-24-33(36)34-31(30-41-42(37,39-26-7-3)40-27-8-4)29-38-28-25-32(35)23-21-19-12-10-6-2;1-3-5-7-9-10-11-12-13-14-16-18-20-27(31)28-25(23-29)24-32-22-21-26(30)19-17-15-8-6-4-2;1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h7,31-32,35H,3,5-6,8-30H2,1-2,4H3,(H,34,36);25-26,29-30H,3-24H2,1-2H3,(H,28,31);7,11-12H,1,8-10H2,2-6H3/t31-,32+,42?;25-,26-;/m01./s1.

What are the key properties of [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine?

[(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine has a molecular weight of 1324.92 g/mol, XLogP of 19.31, 67 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-3-[(3R)-3-hydroxydecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl propyl phosphate;N-[(2R)-1-hydroxy-3-[(3R)-3-hydroxydecoxy]propan-2-yl]tetradecanamide;N-propan-2-yl-N-[prop-2-enoxy(propoxy)phosphanyl]propan-2-amine is sourced from PubChem (CID 162258233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).