[[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol

C22H43NO8P2 — CID 159844530

About [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol

[[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol (PubChem CID 159844530) has the molecular formula C22H43NO8P2 and a molecular weight of 511.53 g/mol. Its IUPAC name is [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol.

Molecular Properties

• Compound Name: [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol
• PubChem CID: 159844530
• Molecular Formula: C22H43NO8P2
• Molecular Weight: 511.53 g/mol
• Exact Mass: 511.25
• IUPAC Name: [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol
• SMILES: COP(C)(=O)OC1CCC2(CC1)CC(C(C)C)CC1(CCC(OP(=O)(CO)OC)CC1)N2O
• InChI: InChI=1S/C22H43NO8P2/c1-17(2)18-14-21(10-6-19(7-11-21)30-32(5,26)28-3)23(25)22(15-18)12-8-20(9-13-22)31-33(27,16-24)29-4/h17-20,24-25H,6-16H2,1-5H3
• InChIKey: IJJLEHXHPWXLJP-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 114.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.53
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol?

The IUPAC name of [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol (CID 159844530) is [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol.

What is the SMILES notation for [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol?

The canonical SMILES for [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol is COP(C)(=O)OC1CCC2(CC1)CC(C(C)C)CC1(CCC(OP(=O)(CO)OC)CC1)N2O.

What is the InChIKey of [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol?

The InChIKey is IJJLEHXHPWXLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO8P2/c1-17(2)18-14-21(10-6-19(7-11-21)30-32(5,26)28-3)23(25)22(15-18)12-8-20(9-13-22)31-33(27,16-24)29-4/h17-20,24-25H,6-16H2,1-5H3.

What are the key properties of [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol?

[[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol has a molecular weight of 511.53 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [[7-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-15-propan-2-yl-7-azadispiro[5.1.58.36]hexadecan-11-yl]oxy-methoxyphosphoryl]methanol is sourced from PubChem (CID 159844530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).