CID 170841773

C4H10N3NaO5P — CID 170841773

IUPAC—
SMILESCN(CC(=O)O)C(N)=NP(=O)(O)O.[Na]
InChIInChI=1S/C4H10N3O5P.Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);
InChIKeyFFKYYXNXZDLJDX-UHFFFAOYSA-N
MW234.10 g/mol
LogP-1.97
Rot. Bonds3

About CID 170841773

CID 170841773 (PubChem CID 170841773) has the molecular formula C4H10N3NaO5P and a molecular weight of 234.10 g/mol.

Molecular Properties

Compound NameCID 170841773
PubChem CID170841773
Molecular FormulaC4H10N3NaO5P
Molecular Weight234.10 g/mol
Exact Mass234.03
IUPAC Name—
SMILESCN(CC(=O)O)C(N)=NP(=O)(O)O.[Na]
InChIInChI=1S/C4H10N3O5P.Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);
InChIKeyFFKYYXNXZDLJDX-UHFFFAOYSA-N
XLogP-1.97
TPSA136.45 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170841773?
The IUPAC name of CID 170841773 (CID 170841773) is not available.
What is the SMILES notation for CID 170841773?
The canonical SMILES for CID 170841773 is CN(CC(=O)O)C(N)=NP(=O)(O)O.[Na].
What is the InChIKey of CID 170841773?
The InChIKey is FFKYYXNXZDLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N3O5P.Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);.
What are the key properties of CID 170841773?
CID 170841773 has a molecular weight of 234.10 g/mol, XLogP of -1.97, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170841773 is sourced from PubChem (CID 170841773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).