[2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate

C50H41NO11S — CID 53463267

IUPAC[2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate
SMILESO=C(OCC(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C1SCCN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C50H41NO11S/c52-44(34-19-7-1-8-20-34)51-31-32-63-45(51)43(62-50(57)39-29-17-6-18-30-39)42(61-49(56)38-27-15-5-16-28-38)41(60-48(55)37-25-13-4-14-26-37)40(59-47(54)36-23-11-3-12-24-36)33-58-46(53)35-21-9-2-10-22-35/h1-30,40-43,45H,31-33H2
InChIKeyRZFPTDCWZWTUDL-UHFFFAOYSA-N
MW863.94 g/mol
LogP7.96
Rot. Bonds16

About [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate

[2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate (PubChem CID 53463267) has the molecular formula C50H41NO11S and a molecular weight of 863.94 g/mol. Its IUPAC name is [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate.

Molecular Properties

Compound Name[2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate
PubChem CID53463267
Molecular FormulaC50H41NO11S
Molecular Weight863.94 g/mol
Exact Mass863.24
IUPAC Name[2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate
SMILESO=C(OCC(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C1SCCN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C50H41NO11S/c52-44(34-19-7-1-8-20-34)51-31-32-63-45(51)43(62-50(57)39-29-17-6-18-30-39)42(61-49(56)38-27-15-5-16-28-38)41(60-48(55)37-25-13-4-14-26-37)40(59-47(54)36-23-11-3-12-24-36)33-58-46(53)35-21-9-2-10-22-35/h1-30,40-43,45H,31-33H2
InChIKeyRZFPTDCWZWTUDL-UHFFFAOYSA-N
XLogP7.96
TPSA151.81 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.94
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 10417492
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[(2S,3S,4R)-2,5,5-triacetyloxy-3,4-dibenzoyloxypentyl] benzoate
CID 101473280
[(2R,3R,4R,5R)-6-aminooxy-3,4,5-tribenzoyloxy-1-hydroxyhexan-2-yl] benzoate
CID 90294860
[(2S,3R)-2,3-dibenzoyloxy-5-hydroxypentyl] benzoate
CID 71606155
2,3,4,5,6-pentakis[(4-tert-butylbenzoyl)oxy]hexyl 4-tert-butylbenzoate
CID 58785846
[(2R,3R,4R,5R)-2,3,4,5-tetrabenzoyloxy-5-(2-phenyltriazol-4-yl)pentyl] benzoate
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[(2S,3R)-2,3,6-tribenzoyloxy-5-oxohexyl] benzoate
CID 139094575
2,3,4,5,6-pentakis[[4-(dimethylamino)benzoyl]oxy]hexyl 4-(dimethylamino)benzoate
CID 156726688
[(2S,4S)-3-benzoyloxy-2-chloro-4-fluoro-5-oxopentyl] benzoate
CID 146406682
[(2R,3R,4S,5R)-2,4,5-tribenzoyloxy-6-ethoxy-3-hydroxy-6-oxohexyl] benzoate
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Frequently Asked Questions

What is the IUPAC name of [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate?
The IUPAC name of [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate (CID 53463267) is [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate.
What is the SMILES notation for [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate?
The canonical SMILES for [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate is O=C(OCC(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C1SCCN1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate?
The InChIKey is RZFPTDCWZWTUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41NO11S/c52-44(34-19-7-1-8-20-34)51-31-32-63-45(51)43(62-50(57)39-29-17-6-18-30-39)42(61-49(56)38-27-15-5-16-28-38)41(60-48(55)37-25-13-4-14-26-37)40(59-47(54)36-23-11-3-12-24-36)33-58-46(53)35-21-9-2-10-22-35/h1-30,40-43,45H,31-33H2.
What are the key properties of [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate?
[2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate has a molecular weight of 863.94 g/mol, XLogP of 7.96, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5-tetrabenzoyloxy-5-(3-benzoyl-1,3-thiazolidin-2-yl)pentyl] benzoate is sourced from PubChem (CID 53463267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).