(2,3-Dihydroxypropoxy)phosphonic acid sodium

C3H9NaO6P — CID 87292852

IUPAC—
SMILESO=P(O)(O)OCC(O)CO.[Na]
InChIInChI=1S/C3H9O6P.Na/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);
InChIKeyKANLKAYGXGSUJC-UHFFFAOYSA-N
MW195.06 g/mol
LogP-1.93
Rot. Bonds4

About (2,3-Dihydroxypropoxy)phosphonic acid sodium

(2,3-Dihydroxypropoxy)phosphonic acid sodium (PubChem CID 87292852) has the molecular formula C3H9NaO6P and a molecular weight of 195.06 g/mol.

Molecular Properties

Compound Name(2,3-Dihydroxypropoxy)phosphonic acid sodium
PubChem CID87292852
Molecular FormulaC3H9NaO6P
Molecular Weight195.06 g/mol
Exact Mass195.00
IUPAC Name—
SMILESO=P(O)(O)OCC(O)CO.[Na]
InChIInChI=1S/C3H9O6P.Na/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);
InChIKeyKANLKAYGXGSUJC-UHFFFAOYSA-N
XLogP-1.93
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
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 (2,3-Dihydroxypropoxy)phosphonic acid sodium?
The IUPAC name of (2,3-Dihydroxypropoxy)phosphonic acid sodium (CID 87292852) is not available.
What is the SMILES notation for (2,3-Dihydroxypropoxy)phosphonic acid sodium?
The canonical SMILES for (2,3-Dihydroxypropoxy)phosphonic acid sodium is O=P(O)(O)OCC(O)CO.[Na].
What is the InChIKey of (2,3-Dihydroxypropoxy)phosphonic acid sodium?
The InChIKey is KANLKAYGXGSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O6P.Na/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);.
What are the key properties of (2,3-Dihydroxypropoxy)phosphonic acid sodium?
(2,3-Dihydroxypropoxy)phosphonic acid sodium has a molecular weight of 195.06 g/mol, XLogP of -1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-Dihydroxypropoxy)phosphonic acid sodium is sourced from PubChem (CID 87292852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).