disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate

C10H12NNa2O5P — CID 18339794

IUPACdisodium;[(2R)-2-acetamido-2-phenylethyl] phosphate
SMILESCC(=O)N[C@@H](COP(=O)([O-])[O-])c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C10H14NO5P.2Na/c1-8(12)11-10(7-16-17(13,14)15)9-5-3-2-4-6-9;;/h2-6,10H,7H2,1H3,(H,11,12)(H2,13,14,15);;/q;2*+1/p-2/t10-;;/m0../s1
InChIKeyVKUQGRBLPDJLFI-XRIOVQLTSA-L
MW303.16 g/mol
LogP-6.28
Rot. Bonds5

About disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate

disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate (PubChem CID 18339794) has the molecular formula C10H12NNa2O5P and a molecular weight of 303.16 g/mol. Its IUPAC name is disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate.

Molecular Properties

Compound Namedisodium;[(2R)-2-acetamido-2-phenylethyl] phosphate
PubChem CID18339794
Molecular FormulaC10H12NNa2O5P
Molecular Weight303.16 g/mol
Exact Mass303.02
IUPAC Namedisodium;[(2R)-2-acetamido-2-phenylethyl] phosphate
SMILESCC(=O)N[C@@H](COP(=O)([O-])[O-])c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C10H14NO5P.2Na/c1-8(12)11-10(7-16-17(13,14)15)9-5-3-2-4-6-9;;/h2-6,10H,7H2,1H3,(H,11,12)(H2,13,14,15);;/q;2*+1/p-2/t10-;;/m0../s1
InChIKeyVKUQGRBLPDJLFI-XRIOVQLTSA-L
XLogP-6.28
TPSA101.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 5-6.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate?
The IUPAC name of disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate (CID 18339794) is disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate.
What is the SMILES notation for disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate?
The canonical SMILES for disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate is CC(=O)N[C@@H](COP(=O)([O-])[O-])c1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate?
The InChIKey is VKUQGRBLPDJLFI-XRIOVQLTSA-L. The full InChI is InChI=1S/C10H14NO5P.2Na/c1-8(12)11-10(7-16-17(13,14)15)9-5-3-2-4-6-9;;/h2-6,10H,7H2,1H3,(H,11,12)(H2,13,14,15);;/q;2*+1/p-2/t10-;;/m0../s1.
What are the key properties of disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate?
disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate has a molecular weight of 303.16 g/mol, XLogP of -6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate is sourced from PubChem (CID 18339794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).