CID 174264334

H2Na3O7P3 — CID 174264334

IUPAC—
SMILESO.O=P[O-].O=P[O-].O=P[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.3HO2P.H2O/c;;;3*1-3-2;/h;;;3*(H,1,2);1H2/q3*+1;;;;/p-3
InChIKeyCPZFEBGTRWYMSR-UHFFFAOYSA-K
MW275.90 g/mol
LogP-11.15
Rot. Bonds

About CID 174264334

CID 174264334 (PubChem CID 174264334) has the molecular formula H2Na3O7P3 and a molecular weight of 275.90 g/mol.

Molecular Properties

Compound NameCID 174264334
PubChem CID174264334
Molecular FormulaH2Na3O7P3
Molecular Weight275.90 g/mol
Exact Mass275.87
IUPAC Name—
SMILESO.O=P[O-].O=P[O-].O=P[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.3HO2P.H2O/c;;;3*1-3-2;/h;;;3*(H,1,2);1H2/q3*+1;;;;/p-3
InChIKeyCPZFEBGTRWYMSR-UHFFFAOYSA-K
XLogP-11.15
TPSA151.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.90
LogP ≤ 5-11.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 174264334?
The IUPAC name of CID 174264334 (CID 174264334) is not available.
What is the SMILES notation for CID 174264334?
The canonical SMILES for CID 174264334 is O.O=P[O-].O=P[O-].O=P[O-].[Na+].[Na+].[Na+].
What is the InChIKey of CID 174264334?
The InChIKey is CPZFEBGTRWYMSR-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.3HO2P.H2O/c;;;3*1-3-2;/h;;;3*(H,1,2);1H2/q3*+1;;;;/p-3.
What are the key properties of CID 174264334?
CID 174264334 has a molecular weight of 275.90 g/mol, XLogP of -11.15, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174264334 is sourced from PubChem (CID 174264334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).