[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate

C24H26O7 — CID 141420240

IUPAC[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate
SMILESC=CCc1ccccc1C(O)(CO)C(=O)OC(=O)C(O)(CO)c1ccccc1CC=C
InChIInChI=1S/C24H26O7/c1-3-9-17-11-5-7-13-19(17)23(29,15-25)21(27)31-22(28)24(30,16-26)20-14-8-6-12-18(20)10-4-2/h3-8,11-14,25-26,29-30H,1-2,9-10,15-16H2
InChIKeyBUHJZFNZSXOVBW-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.27
Rot. Bonds10

About [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate

[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate (PubChem CID 141420240) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate.

Molecular Properties

Compound Name[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate
PubChem CID141420240
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate
SMILESC=CCc1ccccc1C(O)(CO)C(=O)OC(=O)C(O)(CO)c1ccccc1CC=C
InChIInChI=1S/C24H26O7/c1-3-9-17-11-5-7-13-19(17)23(29,15-25)21(27)31-22(28)24(30,16-26)20-14-8-6-12-18(20)10-4-2/h3-8,11-14,25-26,29-30H,1-2,9-10,15-16H2
InChIKeyBUHJZFNZSXOVBW-UHFFFAOYSA-N
XLogP1.27
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate?
The IUPAC name of [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate (CID 141420240) is [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate.
What is the SMILES notation for [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate?
The canonical SMILES for [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate is C=CCc1ccccc1C(O)(CO)C(=O)OC(=O)C(O)(CO)c1ccccc1CC=C.
What is the InChIKey of [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate?
The InChIKey is BUHJZFNZSXOVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O7/c1-3-9-17-11-5-7-13-19(17)23(29,15-25)21(27)31-22(28)24(30,16-26)20-14-8-6-12-18(20)10-4-2/h3-8,11-14,25-26,29-30H,1-2,9-10,15-16H2.
What are the key properties of [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate?
[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate has a molecular weight of 426.47 g/mol, XLogP of 1.27, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate is sourced from PubChem (CID 141420240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).