3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol

C9H22O8 — CID 87090459

IUPAC3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
SMILESOCC(O)CO.OCC(O)COCC(O)CO
InChIInChI=1S/C6H14O5.C3H8O3/c7-1-5(9)3-11-4-6(10)2-8;4-1-3(6)2-5/h5-10H,1-4H2;3-6H,1-2H2
InChIKeyRQSRXSUCUHGERF-UHFFFAOYSA-N
MW258.27 g/mol
LogP-3.96
Rot. Bonds8

About 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol (PubChem CID 87090459) has the molecular formula C9H22O8 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
PubChem CID87090459
Molecular FormulaC9H22O8
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
SMILESOCC(O)CO.OCC(O)COCC(O)CO
InChIInChI=1S/C6H14O5.C3H8O3/c7-1-5(9)3-11-4-6(10)2-8;4-1-3(6)2-5/h5-10H,1-4H2;3-6H,1-2H2
InChIKeyRQSRXSUCUHGERF-UHFFFAOYSA-N
XLogP-3.96
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.27
LogP ≤ 5-3.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
1-(1,3-dihydroxypropan-2-yloxy)propane-1,3-diol;3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 158831932
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl]-trimethylazanium
CID 89337640
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol?
The IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol (CID 87090459) is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol is OCC(O)CO.OCC(O)COCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol?
The InChIKey is RQSRXSUCUHGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5.C3H8O3/c7-1-5(9)3-11-4-6(10)2-8;4-1-3(6)2-5/h5-10H,1-4H2;3-6H,1-2H2.
What are the key properties of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol?
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol has a molecular weight of 258.27 g/mol, XLogP of -3.96, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol is sourced from PubChem (CID 87090459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).