2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid

C24H24O21 — CID 87285781

IUPAC2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid
SMILESCC(=O)OC(=O)CC1(C(=O)O)OC(CC(=O)OC(C)=O)(C(=O)O)C(CC(=O)OC(C)=O)(C(=O)O)C1(CC(=O)OC(C)=O)C(=O)O
InChIInChI=1S/C24H24O21/c1-9(25)41-13(29)5-21(17(33)34)22(18(35)36,6-14(30)42-10(2)26)24(20(39)40,8-16(32)44-12(4)28)45-23(21,19(37)38)7-15(31)43-11(3)27/h5-8H2,1-4H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)
InChIKeyWSWCZELIOFEDBA-UHFFFAOYSA-N
MW648.44 g/mol
LogP-2.28
Rot. Bonds12

About 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid

2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid (PubChem CID 87285781) has the molecular formula C24H24O21 and a molecular weight of 648.44 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid.

Molecular Properties

Compound Name2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid
PubChem CID87285781
Molecular FormulaC24H24O21
Molecular Weight648.44 g/mol
Exact Mass648.08
IUPAC Name2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid
SMILESCC(=O)OC(=O)CC1(C(=O)O)OC(CC(=O)OC(C)=O)(C(=O)O)C(CC(=O)OC(C)=O)(C(=O)O)C1(CC(=O)OC(C)=O)C(=O)O
InChIInChI=1S/C24H24O21/c1-9(25)41-13(29)5-21(17(33)34)22(18(35)36,6-14(30)42-10(2)26)24(20(39)40,8-16(32)44-12(4)28)45-23(21,19(37)38)7-15(31)43-11(3)27/h5-8H2,1-4H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)
InChIKeyWSWCZELIOFEDBA-UHFFFAOYSA-N
XLogP-2.28
TPSA331.91 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.44
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid?
The IUPAC name of 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid (CID 87285781) is 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid.
What is the SMILES notation for 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid?
The canonical SMILES for 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid is CC(=O)OC(=O)CC1(C(=O)O)OC(CC(=O)OC(C)=O)(C(=O)O)C(CC(=O)OC(C)=O)(C(=O)O)C1(CC(=O)OC(C)=O)C(=O)O.
What is the InChIKey of 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid?
The InChIKey is WSWCZELIOFEDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O21/c1-9(25)41-13(29)5-21(17(33)34)22(18(35)36,6-14(30)42-10(2)26)24(20(39)40,8-16(32)44-12(4)28)45-23(21,19(37)38)7-15(31)43-11(3)27/h5-8H2,1-4H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40).
What are the key properties of 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid?
2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid has a molecular weight of 648.44 g/mol, XLogP of -2.28, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(2-acetyloxy-2-oxoethyl)oxolane-2,3,4,5-tetracarboxylic acid is sourced from PubChem (CID 87285781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).