tris(2-amino-2-oxoethyl) phosphate

C6H12N3O7P — CID 88773864

IUPACtris(2-amino-2-oxoethyl) phosphate
SMILESNC(=O)COP(=O)(OCC(N)=O)OCC(N)=O
InChIInChI=1S/C6H12N3O7P/c7-4(10)1-14-17(13,15-2-5(8)11)16-3-6(9)12/h1-3H2,(H2,7,10)(H2,8,11)(H2,9,12)
InChIKeyRBWZKUZLDBDMOI-UHFFFAOYSA-N
MW269.15 g/mol
LogP-2.40
Rot. Bonds9

About tris(2-amino-2-oxoethyl) phosphate

tris(2-amino-2-oxoethyl) phosphate (PubChem CID 88773864) has the molecular formula C6H12N3O7P and a molecular weight of 269.15 g/mol. Its IUPAC name is tris(2-amino-2-oxoethyl) phosphate.

Molecular Properties

Compound Nametris(2-amino-2-oxoethyl) phosphate
PubChem CID88773864
Molecular FormulaC6H12N3O7P
Molecular Weight269.15 g/mol
Exact Mass269.04
IUPAC Nametris(2-amino-2-oxoethyl) phosphate
SMILESNC(=O)COP(=O)(OCC(N)=O)OCC(N)=O
InChIInChI=1S/C6H12N3O7P/c7-4(10)1-14-17(13,15-2-5(8)11)16-3-6(9)12/h1-3H2,(H2,7,10)(H2,8,11)(H2,9,12)
InChIKeyRBWZKUZLDBDMOI-UHFFFAOYSA-N
XLogP-2.40
TPSA174.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-amino-2-oxoethyl) phosphate?
The IUPAC name of tris(2-amino-2-oxoethyl) phosphate (CID 88773864) is tris(2-amino-2-oxoethyl) phosphate.
What is the SMILES notation for tris(2-amino-2-oxoethyl) phosphate?
The canonical SMILES for tris(2-amino-2-oxoethyl) phosphate is NC(=O)COP(=O)(OCC(N)=O)OCC(N)=O.
What is the InChIKey of tris(2-amino-2-oxoethyl) phosphate?
The InChIKey is RBWZKUZLDBDMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N3O7P/c7-4(10)1-14-17(13,15-2-5(8)11)16-3-6(9)12/h1-3H2,(H2,7,10)(H2,8,11)(H2,9,12).
What are the key properties of tris(2-amino-2-oxoethyl) phosphate?
tris(2-amino-2-oxoethyl) phosphate has a molecular weight of 269.15 g/mol, XLogP of -2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-amino-2-oxoethyl) phosphate is sourced from PubChem (CID 88773864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).