CID 175960671

C4H8NaO6P2+2 — CID 175960671

IUPAC—
SMILESO=[P+]1OCCO[P+](=O)OCCO1.[Na]
InChIInChI=1S/C4H8O6P2.Na/c5-11-7-1-2-8-12(6)10-4-3-9-11;/h1-4H2;/q+2;
InChIKeyWXUKCJXYNNMUCC-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.00
Rot. Bonds

About CID 175960671

CID 175960671 (PubChem CID 175960671) has the molecular formula C4H8NaO6P2+2 and a molecular weight of 237.04 g/mol.

Molecular Properties

Compound NameCID 175960671
PubChem CID175960671
Molecular FormulaC4H8NaO6P2+2
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name—
SMILESO=[P+]1OCCO[P+](=O)OCCO1.[Na]
InChIInChI=1S/C4H8O6P2.Na/c5-11-7-1-2-8-12(6)10-4-3-9-11;/h1-4H2;/q+2;
InChIKeyWXUKCJXYNNMUCC-UHFFFAOYSA-N
XLogP1.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.00
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 175960671?
The IUPAC name of CID 175960671 (CID 175960671) is not available.
What is the SMILES notation for CID 175960671?
The canonical SMILES for CID 175960671 is O=[P+]1OCCO[P+](=O)OCCO1.[Na].
What is the InChIKey of CID 175960671?
The InChIKey is WXUKCJXYNNMUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6P2.Na/c5-11-7-1-2-8-12(6)10-4-3-9-11;/h1-4H2;/q+2;.
What are the key properties of CID 175960671?
CID 175960671 has a molecular weight of 237.04 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175960671 is sourced from PubChem (CID 175960671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).