2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid

C8H17O6P — CID 129087569

IUPAC2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid
SMILESCC(O)C(OP(=O)(O)CC1CO1)C(C)O
InChIInChI=1S/C8H17O6P/c1-5(9)8(6(2)10)14-15(11,12)4-7-3-13-7/h5-10H,3-4H2,1-2H3,(H,11,12)
InChIKeyZGMOYVKIMBEZRU-UHFFFAOYSA-N
MW240.19 g/mol
LogP-0.28
Rot. Bonds6

About 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid

2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid (PubChem CID 129087569) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid.

Molecular Properties

Compound Name2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid
PubChem CID129087569
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Name2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid
SMILESCC(O)C(OP(=O)(O)CC1CO1)C(C)O
InChIInChI=1S/C8H17O6P/c1-5(9)8(6(2)10)14-15(11,12)4-7-3-13-7/h5-10H,3-4H2,1-2H3,(H,11,12)
InChIKeyZGMOYVKIMBEZRU-UHFFFAOYSA-N
XLogP-0.28
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid?
The IUPAC name of 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid (CID 129087569) is 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid.
What is the SMILES notation for 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid?
The canonical SMILES for 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid is CC(O)C(OP(=O)(O)CC1CO1)C(C)O.
What is the InChIKey of 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid?
The InChIKey is ZGMOYVKIMBEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O6P/c1-5(9)8(6(2)10)14-15(11,12)4-7-3-13-7/h5-10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid?
2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid has a molecular weight of 240.19 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxypentan-3-yloxy(oxiran-2-ylmethyl)phosphinic acid is sourced from PubChem (CID 129087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).