CID 172770917

C3H6NNa3O3P — CID 172770917

IUPAC—
SMILESCOP(=O)(C#N)OC.[Na].[Na].[Na]
InChIInChI=1S/C3H6NO3P.3Na/c1-6-8(5,3-4)7-2;;;/h1-2H3;;;
InChIKeyMYBHSNTZKVAGBU-UHFFFAOYSA-N
MW204.03 g/mol
LogP-0.19
Rot. Bonds2

About CID 172770917

CID 172770917 (PubChem CID 172770917) has the molecular formula C3H6NNa3O3P and a molecular weight of 204.03 g/mol.

Molecular Properties

Compound NameCID 172770917
PubChem CID172770917
Molecular FormulaC3H6NNa3O3P
Molecular Weight204.03 g/mol
Exact Mass203.98
IUPAC Name—
SMILESCOP(=O)(C#N)OC.[Na].[Na].[Na]
InChIInChI=1S/C3H6NO3P.3Na/c1-6-8(5,3-4)7-2;;;/h1-2H3;;;
InChIKeyMYBHSNTZKVAGBU-UHFFFAOYSA-N
XLogP-0.19
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172770917?
The IUPAC name of CID 172770917 (CID 172770917) is not available.
What is the SMILES notation for CID 172770917?
The canonical SMILES for CID 172770917 is COP(=O)(C#N)OC.[Na].[Na].[Na].
What is the InChIKey of CID 172770917?
The InChIKey is MYBHSNTZKVAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P.3Na/c1-6-8(5,3-4)7-2;;;/h1-2H3;;;.
What are the key properties of CID 172770917?
CID 172770917 has a molecular weight of 204.03 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172770917 is sourced from PubChem (CID 172770917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).