disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate

C19H22NNa2O5P — CID 18339790

IUPACdisodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate
SMILESO=C(CCCCc1ccccc1)N[C@@H](COP(=O)([O-])[O-])c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C19H24NO5P.2Na/c21-19(14-8-7-11-16-9-3-1-4-10-16)20-18(15-25-26(22,23)24)17-12-5-2-6-13-17;;/h1-6,9-10,12-13,18H,7-8,11,14-15H2,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2/t18-;;/m0../s1
InChIKeyZHSNIEPDPJYDJN-NTEVMMBTSA-L
MW421.34 g/mol
LogP-3.89
Rot. Bonds10

About disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate

disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate (PubChem CID 18339790) has the molecular formula C19H22NNa2O5P and a molecular weight of 421.34 g/mol. Its IUPAC name is disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate.

Molecular Properties

Compound Namedisodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate
PubChem CID18339790
Molecular FormulaC19H22NNa2O5P
Molecular Weight421.34 g/mol
Exact Mass421.10
IUPAC Namedisodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate
SMILESO=C(CCCCc1ccccc1)N[C@@H](COP(=O)([O-])[O-])c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C19H24NO5P.2Na/c21-19(14-8-7-11-16-9-3-1-4-10-16)20-18(15-25-26(22,23)24)17-12-5-2-6-13-17;;/h1-6,9-10,12-13,18H,7-8,11,14-15H2,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2/t18-;;/m0../s1
InChIKeyZHSNIEPDPJYDJN-NTEVMMBTSA-L
XLogP-3.89
TPSA101.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 5-3.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate?
The IUPAC name of disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate (CID 18339790) is disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate.
What is the SMILES notation for disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate?
The canonical SMILES for disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate is O=C(CCCCc1ccccc1)N[C@@H](COP(=O)([O-])[O-])c1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate?
The InChIKey is ZHSNIEPDPJYDJN-NTEVMMBTSA-L. The full InChI is InChI=1S/C19H24NO5P.2Na/c21-19(14-8-7-11-16-9-3-1-4-10-16)20-18(15-25-26(22,23)24)17-12-5-2-6-13-17;;/h1-6,9-10,12-13,18H,7-8,11,14-15H2,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2/t18-;;/m0../s1.
What are the key properties of disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate?
disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate has a molecular weight of 421.34 g/mol, XLogP of -3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate is sourced from PubChem (CID 18339790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).