[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid

C4H11O6P — CID 86204251

IUPAC[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid
SMILESO=P(O)(O)C(CO)(CO)CO
InChIInChI=1S/C4H11O6P/c5-1-4(2-6,3-7)11(8,9)10/h5-7H,1-3H2,(H2,8,9,10)
InChIKeyAXHIWEMPIDEIED-UHFFFAOYSA-N
MW186.10 g/mol
LogP-2.12
Rot. Bonds4

About [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid

[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid (PubChem CID 86204251) has the molecular formula C4H11O6P and a molecular weight of 186.10 g/mol. Its IUPAC name is [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid
PubChem CID86204251
Molecular FormulaC4H11O6P
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Name[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid
SMILESO=P(O)(O)C(CO)(CO)CO
InChIInChI=1S/C4H11O6P/c5-1-4(2-6,3-7)11(8,9)10/h5-7H,1-3H2,(H2,8,9,10)
InChIKeyAXHIWEMPIDEIED-UHFFFAOYSA-N
XLogP-2.12
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
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 [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid?
The IUPAC name of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid (CID 86204251) is [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid.
What is the SMILES notation for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid?
The canonical SMILES for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid is O=P(O)(O)C(CO)(CO)CO.
What is the InChIKey of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid?
The InChIKey is AXHIWEMPIDEIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O6P/c5-1-4(2-6,3-7)11(8,9)10/h5-7H,1-3H2,(H2,8,9,10).
What are the key properties of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid?
[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid has a molecular weight of 186.10 g/mol, XLogP of -2.12, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]phosphonic acid is sourced from PubChem (CID 86204251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).