(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid

C5H14O8P2 — CID 14325355

IUPAC(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
SMILESCC(O)(CC(C)(O)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H14O8P2/c1-4(6,14(8,9)10)3-5(2,7)15(11,12)13/h6-7H,3H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
InChIKeyJDAVFCUINKUYDT-UHFFFAOYSA-N
MW264.11 g/mol
LogP-0.85
Rot. Bonds4

About (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid

(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid (PubChem CID 14325355) has the molecular formula C5H14O8P2 and a molecular weight of 264.11 g/mol. Its IUPAC name is (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
PubChem CID14325355
Molecular FormulaC5H14O8P2
Molecular Weight264.11 g/mol
Exact Mass264.02
IUPAC Name(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
SMILESCC(O)(CC(C)(O)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H14O8P2/c1-4(6,14(8,9)10)3-5(2,7)15(11,12)13/h6-7H,3H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
InChIKeyJDAVFCUINKUYDT-UHFFFAOYSA-N
XLogP-0.85
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.11
LogP ≤ 5-0.85
H-Bond Donors ≤ 56
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 (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid?
The IUPAC name of (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid (CID 14325355) is (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid.
What is the SMILES notation for (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid?
The canonical SMILES for (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid is CC(O)(CC(C)(O)P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid?
The InChIKey is JDAVFCUINKUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O8P2/c1-4(6,14(8,9)10)3-5(2,7)15(11,12)13/h6-7H,3H2,1-2H3,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid?
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid has a molecular weight of 264.11 g/mol, XLogP of -0.85, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid is sourced from PubChem (CID 14325355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).