[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate

C15H30NO8P — CID 175386713

About [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate (PubChem CID 175386713) has the molecular formula C15H30NO8P and a molecular weight of 383.38 g/mol. Its IUPAC name is [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate
• PubChem CID: 175386713
• Molecular Formula: C15H30NO8P
• Molecular Weight: 383.38 g/mol
• Exact Mass: 383.17
• IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C(C)(C)C
• InChI: InChI=1S/C15H30NO8P/c1-14(2,3)12(17)21-9-11(24-13(18)15(4,5)6)10-23-25(19,20)22-8-7-16/h11H,7-10,16H2,1-6H3,(H,19,20)/t11-/m1/s1
• InChIKey: MBYJHPSQLNYEJH-LLVKDONJSA-N
• XLogP: 1.63
• TPSA: 134.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.38
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
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 [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate (CID 175386713) is [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C(C)(C)C.

What is the InChIKey of [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate?

The InChIKey is MBYJHPSQLNYEJH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H30NO8P/c1-14(2,3)12(17)21-9-11(24-13(18)15(4,5)6)10-23-25(19,20)22-8-7-16/h11H,7-10,16H2,1-6H3,(H,19,20)/t11-/m1/s1.

What are the key properties of [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate?

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate has a molecular weight of 383.38 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175386713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).