[(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate

C27H22O7 — CID 10939443

IUPAC[(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate
SMILESO=C(OC[C@@H](OC(=O)c1ccccc1)[C@H]1OC=C[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22O7/c28-25(19-10-4-1-5-11-19)32-18-23(34-27(30)21-14-8-3-9-15-21)24-22(16-17-31-24)33-26(29)20-12-6-2-7-13-20/h1-17,22-24H,18H2/t22-,23-,24+/m1/s1
InChIKeyUURXHFFLSSVUPZ-SMIHKQSGSA-N
MW458.47 g/mol
LogP4.21
Rot. Bonds8

About [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate

[(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate (PubChem CID 10939443) has the molecular formula C27H22O7 and a molecular weight of 458.47 g/mol. Its IUPAC name is [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate
PubChem CID10939443
Molecular FormulaC27H22O7
Molecular Weight458.47 g/mol
Exact Mass458.14
IUPAC Name[(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate
SMILESO=C(OC[C@@H](OC(=O)c1ccccc1)[C@H]1OC=C[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22O7/c28-25(19-10-4-1-5-11-19)32-18-23(34-27(30)21-14-8-3-9-15-21)24-22(16-17-31-24)33-26(29)20-12-6-2-7-13-20/h1-17,22-24H,18H2/t22-,23-,24+/m1/s1
InChIKeyUURXHFFLSSVUPZ-SMIHKQSGSA-N
XLogP4.21
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

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[(2R)-2-benzoyloxy-2-[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-cyanooxolan-2-yl]ethyl] benzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate?
The IUPAC name of [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate (CID 10939443) is [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate.
What is the SMILES notation for [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate?
The canonical SMILES for [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate is O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H]1OC=C[C@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate?
The InChIKey is UURXHFFLSSVUPZ-SMIHKQSGSA-N. The full InChI is InChI=1S/C27H22O7/c28-25(19-10-4-1-5-11-19)32-18-23(34-27(30)21-14-8-3-9-15-21)24-22(16-17-31-24)33-26(29)20-12-6-2-7-13-20/h1-17,22-24H,18H2/t22-,23-,24+/m1/s1.
What are the key properties of [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate?
[(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate has a molecular weight of 458.47 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate is sourced from PubChem (CID 10939443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).