potassium 2,3-dihydroxypropyl hydrogen phosphate

C3H8KO6P — CID 23691990

IUPACpotassium 2,3-dihydroxypropyl hydrogen phosphate
SMILESO=P([O-])(O)OCC(O)CO.[K+]
InChIInChI=1S/C3H9O6P.K/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+1/p-1
InChIKeyOEZZJHUIYXAWIJ-UHFFFAOYSA-M
MW210.16 g/mol
LogP-5.18
Rot. Bonds4

About potassium 2,3-dihydroxypropyl hydrogen phosphate

potassium 2,3-dihydroxypropyl hydrogen phosphate (PubChem CID 23691990) has the molecular formula C3H8KO6P and a molecular weight of 210.16 g/mol. Its IUPAC name is potassium 2,3-dihydroxypropyl hydrogen phosphate.

Molecular Properties

Compound Namepotassium 2,3-dihydroxypropyl hydrogen phosphate
PubChem CID23691990
Molecular FormulaC3H8KO6P
Molecular Weight210.16 g/mol
Exact Mass209.97
IUPAC Namepotassium 2,3-dihydroxypropyl hydrogen phosphate
SMILESO=P([O-])(O)OCC(O)CO.[K+]
InChIInChI=1S/C3H9O6P.K/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+1/p-1
InChIKeyOEZZJHUIYXAWIJ-UHFFFAOYSA-M
XLogP-5.18
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-5.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;1,3-dihydroxypropan-2-yl hydrogen phosphate;2,3-dihydroxypropyl hydrogen phosphate;hydrate
CID 134128771
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
chloro 2,3-dihydroxypropyl phosphate
CID 22670557
3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol
CID 90085128
(2S)-2-azaniumyl-3-[[(2R)-2,3-dihydroxypropoxy]-oxidophosphoryl]oxypropanoate
CID 57339260

Frequently Asked Questions

What is the IUPAC name of potassium 2,3-dihydroxypropyl hydrogen phosphate?
The IUPAC name of potassium 2,3-dihydroxypropyl hydrogen phosphate (CID 23691990) is potassium 2,3-dihydroxypropyl hydrogen phosphate.
What is the SMILES notation for potassium 2,3-dihydroxypropyl hydrogen phosphate?
The canonical SMILES for potassium 2,3-dihydroxypropyl hydrogen phosphate is O=P([O-])(O)OCC(O)CO.[K+].
What is the InChIKey of potassium 2,3-dihydroxypropyl hydrogen phosphate?
The InChIKey is OEZZJHUIYXAWIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9O6P.K/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+1/p-1.
What are the key properties of potassium 2,3-dihydroxypropyl hydrogen phosphate?
potassium 2,3-dihydroxypropyl hydrogen phosphate has a molecular weight of 210.16 g/mol, XLogP of -5.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,3-dihydroxypropyl hydrogen phosphate is sourced from PubChem (CID 23691990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).