2,3-bis(2,3-dihydroxypropoxy)butanedioic acid

C10H18O10 — CID 174626088

IUPAC2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
SMILESO=C(O)C(OCC(O)CO)C(OCC(O)CO)C(=O)O
InChIInChI=1S/C10H18O10/c11-1-5(13)3-19-7(9(15)16)8(10(17)18)20-4-6(14)2-12/h5-8,11-14H,1-4H2,(H,15,16)(H,17,18)
InChIKeyCCTQYWVATXUQPW-UHFFFAOYSA-N
MW298.24 g/mol
LogP-3.37
Rot. Bonds11

About 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid

2,3-bis(2,3-dihydroxypropoxy)butanedioic acid (PubChem CID 174626088) has the molecular formula C10H18O10 and a molecular weight of 298.24 g/mol. Its IUPAC name is 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid.

Molecular Properties

Compound Name2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
PubChem CID174626088
Molecular FormulaC10H18O10
Molecular Weight298.24 g/mol
Exact Mass298.09
IUPAC Name2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
SMILESO=C(O)C(OCC(O)CO)C(OCC(O)CO)C(=O)O
InChIInChI=1S/C10H18O10/c11-1-5(13)3-19-7(9(15)16)8(10(17)18)20-4-6(14)2-12/h5-8,11-14H,1-4H2,(H,15,16)(H,17,18)
InChIKeyCCTQYWVATXUQPW-UHFFFAOYSA-N
XLogP-3.37
TPSA173.98 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.24
LogP ≤ 5-3.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
CID 87578762
2-acetyloxy-3-(2,3-dihydroxypropoxy)butanedioic acid;octadecanoic acid
CID 175301239
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131
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
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
4-(2,3-dihydroxypropoxy)octadecanoic acid
CID 54206692
2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
CID 88705292
4-(2,3-dihydroxypropoxy)-4-oxobut-2-enoic acid
CID 54038335
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 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid?
The IUPAC name of 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid (CID 174626088) is 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid.
What is the SMILES notation for 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid?
The canonical SMILES for 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid is O=C(O)C(OCC(O)CO)C(OCC(O)CO)C(=O)O.
What is the InChIKey of 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid?
The InChIKey is CCTQYWVATXUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O10/c11-1-5(13)3-19-7(9(15)16)8(10(17)18)20-4-6(14)2-12/h5-8,11-14H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid?
2,3-bis(2,3-dihydroxypropoxy)butanedioic acid has a molecular weight of 298.24 g/mol, XLogP of -3.37, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,3-dihydroxypropoxy)butanedioic acid is sourced from PubChem (CID 174626088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).