3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol

C12H26O9 — CID 159420507

IUPAC3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol
SMILESOC1COCC(O)COC1.OCC(O)COCC(O)CO
InChIInChI=1S/C6H14O5.C6H12O4/c7-1-5(9)3-11-4-6(10)2-8;7-5-1-9-3-6(8)4-10-2-5/h5-10H,1-4H2;5-8H,1-4H2
InChIKeyLPSBDEJHAGGDMV-UHFFFAOYSA-N
MW314.33 g/mol
LogP-3.54
Rot. Bonds6

About 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol

3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol (PubChem CID 159420507) has the molecular formula C12H26O9 and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol
PubChem CID159420507
Molecular FormulaC12H26O9
Molecular Weight314.33 g/mol
Exact Mass314.16
IUPAC Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol
SMILESOC1COCC(O)COC1.OCC(O)COCC(O)CO
InChIInChI=1S/C6H14O5.C6H12O4/c7-1-5(9)3-11-4-6(10)2-8;7-5-1-9-3-6(8)4-10-2-5/h5-10H,1-4H2;5-8H,1-4H2
InChIKeyLPSBDEJHAGGDMV-UHFFFAOYSA-N
XLogP-3.54
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.33
LogP ≤ 5-3.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
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
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;2-methoxyethanol;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane-1,2-diol;(3R,4S)-oxolane-3,4-diol;1,4,7,10-tetraoxacyclododec-2-ylmethanol
CID 157309969
3-hydroperoxypropane-1,2-diol;2-methyloxirane;oxirane
CID 174854855
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
3-(4-hydroxycyclohexyl)oxypropane-1,2-diol
CID 21393261

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol?
The IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol (CID 159420507) is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol is OC1COCC(O)COC1.OCC(O)COCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol?
The InChIKey is LPSBDEJHAGGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5.C6H12O4/c7-1-5(9)3-11-4-6(10)2-8;7-5-1-9-3-6(8)4-10-2-5/h5-10H,1-4H2;5-8H,1-4H2.
What are the key properties of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol?
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol has a molecular weight of 314.33 g/mol, XLogP of -3.54, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1,5-dioxocane-3,7-diol is sourced from PubChem (CID 159420507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).