3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol

C5H10O8P2 — CID 91486184

IUPAC3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol
SMILESCC(=CC1OP(=O)(O)OP(=O)(O)O1)CO
InChIInChI=1S/C5H10O8P2/c1-4(3-6)2-5-11-14(7,8)13-15(9,10)12-5/h2,5-6H,3H2,1H3,(H,7,8)(H,9,10)
InChIKeyAHWQZQXNBBUIEM-UHFFFAOYSA-N
MW260.07 g/mol
LogP0.52
Rot. Bonds2

About 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol

3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol (PubChem CID 91486184) has the molecular formula C5H10O8P2 and a molecular weight of 260.07 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol
PubChem CID91486184
Molecular FormulaC5H10O8P2
Molecular Weight260.07 g/mol
Exact Mass259.99
IUPAC Name3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol
SMILESCC(=CC1OP(=O)(O)OP(=O)(O)O1)CO
InChIInChI=1S/C5H10O8P2/c1-4(3-6)2-5-11-14(7,8)13-15(9,10)12-5/h2,5-6H,3H2,1H3,(H,7,8)(H,9,10)
InChIKeyAHWQZQXNBBUIEM-UHFFFAOYSA-N
XLogP0.52
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
CID 5281976
(E)-4-Hydroxy-3-methyl-but-2-enyl pyrophosphate
CID 21597501
[(Z)-4-hydroxy-3-methylbut-2-enyl] phosphono hydrogen phosphate
CID 6126867
P-(4-Hydroxy-3-methyl-2-buten-1-yl) trihydrogen (diphosphate)
CID 786
[(E)-4-hydroxy-2-methylbut-2-enyl] phosphono hydrogen phosphate
CID 24823437
[(Z)-4-hydroxy-2-methylbut-2-enyl] phosphono hydrogen phosphate
CID 11521781
(1-Hydroxy-2-methylbut-2-enyl) phosphono hydrogen phosphate
CID 91496823
[(4-Hydroxy-3-methylbut-2-enoxy)-oxidophosphoryl] phosphate
CID 25244663
[[(E)-4-hydroxy-3-methylbut-2-enoxy]-oxidophosphoryl]oxy hydrogen phosphate
CID 135075744
[(E)-4-deuterio-4-hydroxy-3-methylbut-2-enyl] phosphono hydrogen phosphate
CID 10901440
[[(E)-4-hydroxy-3-methylbut-2-enoxy]-oxidophosphoryl] hydrogen phosphate
CID 57998267
[[(Z)-4-hydroxy-2-methylbut-2-enoxy]-oxidophosphoryl] phosphate
CID 59414195

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol (CID 91486184) is 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol is CC(=CC1OP(=O)(O)OP(=O)(O)O1)CO.
What is the InChIKey of 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol?
The InChIKey is AHWQZQXNBBUIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O8P2/c1-4(3-6)2-5-11-14(7,8)13-15(9,10)12-5/h2,5-6H,3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol?
3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol has a molecular weight of 260.07 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphinan-6-yl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 91486184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).