2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol

C9H20O7 — CID 134863020

IUPAC2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
SMILESOCC(O)COCC(O)COC(CO)CO
InChIInChI=1S/C9H20O7/c10-1-7(13)4-15-5-8(14)6-16-9(2-11)3-12/h7-14H,1-6H2
InChIKeyDSSYNIOPEJBBFW-UHFFFAOYSA-N
MW240.25 g/mol
LogP-2.91
Rot. Bonds10

About 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol

2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol (PubChem CID 134863020) has the molecular formula C9H20O7 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
PubChem CID134863020
Molecular FormulaC9H20O7
Molecular Weight240.25 g/mol
Exact Mass240.12
IUPAC Name2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
SMILESOCC(O)COCC(O)COC(CO)CO
InChIInChI=1S/C9H20O7/c10-1-7(13)4-15-5-8(14)6-16-9(2-11)3-12/h7-14H,1-6H2
InChIKeyDSSYNIOPEJBBFW-UHFFFAOYSA-N
XLogP-2.91
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-2.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol
CID 57044013
3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol
CID 122548024
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-[3-[3-[2-[[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[2-(2,3-dihydroxypropoxy)-3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]propoxy]propoxy]methyl]-2-[[3-[2-(2,3-dihydroxypropoxy)-3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]propoxy]-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]methyl]butoxy]-2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 155644548
3-[1-[2,3-bis[3-chloro-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-chloropropan-2-yl]oxypropane-1,2-diol
CID 54196673
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol
CID 159080569

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol?
The IUPAC name of 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol (CID 134863020) is 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol.
What is the SMILES notation for 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol?
The canonical SMILES for 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol is OCC(O)COCC(O)COC(CO)CO.
What is the InChIKey of 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol?
The InChIKey is DSSYNIOPEJBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O7/c10-1-7(13)4-15-5-8(14)6-16-9(2-11)3-12/h7-14H,1-6H2.
What are the key properties of 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol?
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol has a molecular weight of 240.25 g/mol, XLogP of -2.91, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol is sourced from PubChem (CID 134863020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).