potassium 2,3-dihydroxypropyl carbonate

C4H7KO5 — CID 174435109

IUPACpotassium 2,3-dihydroxypropyl carbonate
SMILESO=C([O-])OCC(O)CO.[K+]
InChIInChI=1S/C4H8O5.K/c5-1-3(6)2-9-4(7)8;/h3,5-6H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeySPPZHYRDGFCHFV-UHFFFAOYSA-M
MW174.19 g/mol
LogP-5.30
Rot. Bonds3

About potassium 2,3-dihydroxypropyl carbonate

potassium 2,3-dihydroxypropyl carbonate (PubChem CID 174435109) has the molecular formula C4H7KO5 and a molecular weight of 174.19 g/mol. Its IUPAC name is potassium 2,3-dihydroxypropyl carbonate.

Molecular Properties

Compound Namepotassium 2,3-dihydroxypropyl carbonate
PubChem CID174435109
Molecular FormulaC4H7KO5
Molecular Weight174.19 g/mol
Exact Mass173.99
IUPAC Namepotassium 2,3-dihydroxypropyl carbonate
SMILESO=C([O-])OCC(O)CO.[K+]
InChIInChI=1S/C4H8O5.K/c5-1-3(6)2-9-4(7)8;/h3,5-6H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeySPPZHYRDGFCHFV-UHFFFAOYSA-M
XLogP-5.30
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 5-5.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2,3-dihydroxypropyl carbonate
CID 174410448
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
copper;2,3-dihydroxypropyl acetate
CID 175414462
potassium;propane-1,2,3-triol;acetate
CID 23700856
2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
CID 139478100
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
2,3-dihydroxypropyl butanoate
CID 175822551
2,3-dihydroxypropyl 2,3-dioxopropanoate
CID 91585540
2,3-dihydroxypropyl benzoate dibenzoate
CID 20976561

Frequently Asked Questions

What is the IUPAC name of potassium 2,3-dihydroxypropyl carbonate?
The IUPAC name of potassium 2,3-dihydroxypropyl carbonate (CID 174435109) is potassium 2,3-dihydroxypropyl carbonate.
What is the SMILES notation for potassium 2,3-dihydroxypropyl carbonate?
The canonical SMILES for potassium 2,3-dihydroxypropyl carbonate is O=C([O-])OCC(O)CO.[K+].
What is the InChIKey of potassium 2,3-dihydroxypropyl carbonate?
The InChIKey is SPPZHYRDGFCHFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O5.K/c5-1-3(6)2-9-4(7)8;/h3,5-6H,1-2H2,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 2,3-dihydroxypropyl carbonate?
potassium 2,3-dihydroxypropyl carbonate has a molecular weight of 174.19 g/mol, XLogP of -5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,3-dihydroxypropyl carbonate is sourced from PubChem (CID 174435109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).