sodium 2,3-dihydroxypropyl carbonate

C4H7NaO5 — CID 174410448

IUPACsodium 2,3-dihydroxypropyl carbonate
SMILESO=C([O-])OCC(O)CO.[Na+]
InChIInChI=1S/C4H8O5.Na/c5-1-3(6)2-9-4(7)8;/h3,5-6H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeyMHJYZIWUNIRVOM-UHFFFAOYSA-M
MW158.08 g/mol
LogP-5.30
Rot. Bonds3

About sodium 2,3-dihydroxypropyl carbonate

sodium 2,3-dihydroxypropyl carbonate (PubChem CID 174410448) has the molecular formula C4H7NaO5 and a molecular weight of 158.08 g/mol. Its IUPAC name is sodium 2,3-dihydroxypropyl carbonate.

Molecular Properties

Compound Namesodium 2,3-dihydroxypropyl carbonate
PubChem CID174410448
Molecular FormulaC4H7NaO5
Molecular Weight158.08 g/mol
Exact Mass158.02
IUPAC Namesodium 2,3-dihydroxypropyl carbonate
SMILESO=C([O-])OCC(O)CO.[Na+]
InChIInChI=1S/C4H8O5.Na/c5-1-3(6)2-9-4(7)8;/h3,5-6H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeyMHJYZIWUNIRVOM-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 ≤ 500158.08
LogP ≤ 5-5.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

potassium 2,3-dihydroxypropyl carbonate
CID 174435109
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
copper;2,3-dihydroxypropyl acetate
CID 175414462
2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
CID 139478100
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
2,3-dihydroxypropyl butanoate
CID 175822551
2,3-dihydroxypropyl 2,3-dioxopropanoate
CID 91585540
disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685

Frequently Asked Questions

What is the IUPAC name of sodium 2,3-dihydroxypropyl carbonate?
The IUPAC name of sodium 2,3-dihydroxypropyl carbonate (CID 174410448) is sodium 2,3-dihydroxypropyl carbonate.
What is the SMILES notation for sodium 2,3-dihydroxypropyl carbonate?
The canonical SMILES for sodium 2,3-dihydroxypropyl carbonate is O=C([O-])OCC(O)CO.[Na+].
What is the InChIKey of sodium 2,3-dihydroxypropyl carbonate?
The InChIKey is MHJYZIWUNIRVOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O5.Na/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 sodium 2,3-dihydroxypropyl carbonate?
sodium 2,3-dihydroxypropyl carbonate has a molecular weight of 158.08 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 sodium 2,3-dihydroxypropyl carbonate is sourced from PubChem (CID 174410448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).