2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate

C9H16O8 — CID 23094322

IUPAC2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate
SMILESCC(C)(OC(=O)C(O)CO)OC(=O)C(O)CO
InChIInChI=1S/C9H16O8/c1-9(2,16-7(14)5(12)3-10)17-8(15)6(13)4-11/h5-6,10-13H,3-4H2,1-2H3
InChIKeyTYXZZAOBPNXXIE-UHFFFAOYSA-N
MW252.22 g/mol
LogP-2.48
Rot. Bonds6

About 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate

2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate (PubChem CID 23094322) has the molecular formula C9H16O8 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate
PubChem CID23094322
Molecular FormulaC9H16O8
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate
SMILESCC(C)(OC(=O)C(O)CO)OC(=O)C(O)CO
InChIInChI=1S/C9H16O8/c1-9(2,16-7(14)5(12)3-10)17-8(15)6(13)4-11/h5-6,10-13H,3-4H2,1-2H3
InChIKeyTYXZZAOBPNXXIE-UHFFFAOYSA-N
XLogP-2.48
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate?
The IUPAC name of 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate (CID 23094322) is 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate.
What is the SMILES notation for 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate?
The canonical SMILES for 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate is CC(C)(OC(=O)C(O)CO)OC(=O)C(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate?
The InChIKey is TYXZZAOBPNXXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O8/c1-9(2,16-7(14)5(12)3-10)17-8(15)6(13)4-11/h5-6,10-13H,3-4H2,1-2H3.
What are the key properties of 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate?
2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate has a molecular weight of 252.22 g/mol, XLogP of -2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropanoyloxy)propan-2-yl 2,3-dihydroxypropanoate is sourced from PubChem (CID 23094322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).