dipotassium;2,3-dihydroxypropyl phosphate;trihydrate

C3H13K2O9P — CID 23617466

IUPACdipotassium;2,3-dihydroxypropyl phosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])OCC(O)CO.[K+].[K+]
InChIInChI=1S/C3H9O6P.2K.3H2O/c4-1-3(5)2-9-10(6,7)8;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;3*1H2/q;2*+1;;;/p-2
InChIKeyKMWKZILFOIVJBZ-UHFFFAOYSA-L
MW302.30 g/mol
LogP-11.28
Rot. Bonds4

About dipotassium;2,3-dihydroxypropyl phosphate;trihydrate

dipotassium;2,3-dihydroxypropyl phosphate;trihydrate (PubChem CID 23617466) has the molecular formula C3H13K2O9P and a molecular weight of 302.30 g/mol. Its IUPAC name is dipotassium;2,3-dihydroxypropyl phosphate;trihydrate.

Molecular Properties

Compound Namedipotassium;2,3-dihydroxypropyl phosphate;trihydrate
PubChem CID23617466
Molecular FormulaC3H13K2O9P
Molecular Weight302.30 g/mol
Exact Mass301.96
IUPAC Namedipotassium;2,3-dihydroxypropyl phosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])OCC(O)CO.[K+].[K+]
InChIInChI=1S/C3H9O6P.2K.3H2O/c4-1-3(5)2-9-10(6,7)8;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;3*1H2/q;2*+1;;;/p-2
InChIKeyKMWKZILFOIVJBZ-UHFFFAOYSA-L
XLogP-11.28
TPSA207.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 5-11.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
disodium;1,3-dihydroxypropan-2-yl hydrogen phosphate;2,3-dihydroxypropyl hydrogen phosphate;hydrate
CID 134128771
chloro 2,3-dihydroxypropyl phosphate
CID 22670557
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
barium(2+);[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate
CID 117072657
(2S)-2-azaniumyl-3-[[(2R)-2,3-dihydroxypropoxy]-oxidophosphoryl]oxypropanoate
CID 57339260

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,3-dihydroxypropyl phosphate;trihydrate?
The IUPAC name of dipotassium;2,3-dihydroxypropyl phosphate;trihydrate (CID 23617466) is dipotassium;2,3-dihydroxypropyl phosphate;trihydrate.
What is the SMILES notation for dipotassium;2,3-dihydroxypropyl phosphate;trihydrate?
The canonical SMILES for dipotassium;2,3-dihydroxypropyl phosphate;trihydrate is O.O.O.O=P([O-])([O-])OCC(O)CO.[K+].[K+].
What is the InChIKey of dipotassium;2,3-dihydroxypropyl phosphate;trihydrate?
The InChIKey is KMWKZILFOIVJBZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O6P.2K.3H2O/c4-1-3(5)2-9-10(6,7)8;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;3*1H2/q;2*+1;;;/p-2.
What are the key properties of dipotassium;2,3-dihydroxypropyl phosphate;trihydrate?
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate has a molecular weight of 302.30 g/mol, XLogP of -11.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,3-dihydroxypropyl phosphate;trihydrate is sourced from PubChem (CID 23617466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).