2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid

C7H15O8P — CID 159257312

IUPAC2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C4H6O2.C3H9O6P/c1-3(2)4(5)6;4-1-3(5)2-9-10(6,7)8/h1H2,2H3,(H,5,6);3-5H,1-2H2,(H2,6,7,8)
InChIKeyKWBFYXIWOJBPHA-UHFFFAOYSA-N
MW258.16 g/mol
LogP-0.90
Rot. Bonds5

About 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid

2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid (PubChem CID 159257312) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
PubChem CID159257312
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C4H6O2.C3H9O6P/c1-3(2)4(5)6;4-1-3(5)2-9-10(6,7)8/h1H2,2H3,(H,5,6);3-5H,1-2H2,(H2,6,7,8)
InChIKeyKWBFYXIWOJBPHA-UHFFFAOYSA-N
XLogP-0.90
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
[(2S)-3-[[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-methylphosphoryl]oxy-2-hydroxypropyl] [(2R)-2-hydroxy-3-phosphonooxypropyl] hydrogen phosphate
CID 89473518
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87187110
(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
CID 22259480
(2S)-2-amino-3-phosphonooxypropanoic acid;propane-1,2,3-triol
CID 160724089
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoyloxypropyl prop-2-enoate
CID 174926812
2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
CID 88646758
3-chloropropane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 71431738

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid?
The IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid (CID 159257312) is 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid?
The canonical SMILES for 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.O=P(O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid?
The InChIKey is KWBFYXIWOJBPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H9O6P/c1-3(2)4(5)6;4-1-3(5)2-9-10(6,7)8/h1H2,2H3,(H,5,6);3-5H,1-2H2,(H2,6,7,8).
What are the key properties of 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid?
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid has a molecular weight of 258.16 g/mol, XLogP of -0.90, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid is sourced from PubChem (CID 159257312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).