[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate

C20H22O8 — CID 14018806

IUPAC[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
SMILESO=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O8/c21-15(11-27-19(25)13-7-3-1-4-8-13)17(23)18(24)16(22)12-28-20(26)14-9-5-2-6-10-14/h1-10,15-18,21-24H,11-12H2/t15-,16-,17-,18-/m1/s1
InChIKeyLDFVROHMRYBVGB-BRSBDYLESA-N
MW390.39 g/mol
LogP0.14
Rot. Bonds9

About [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate

[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate (PubChem CID 14018806) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
PubChem CID14018806
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
SMILESO=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O8/c21-15(11-27-19(25)13-7-3-1-4-8-13)17(23)18(24)16(22)12-28-20(26)14-9-5-2-6-10-14/h1-10,15-18,21-24H,11-12H2/t15-,16-,17-,18-/m1/s1
InChIKeyLDFVROHMRYBVGB-BRSBDYLESA-N
XLogP0.14
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate with MolForge

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Related Compounds

[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[(2R,3S,4R,5S)-3,5,6-tribenzoyloxy-2,4-dihydroxyhexyl] benzoate
CID 162881363
[(2R)-3-bromo-2-hydroxypropyl] benzoate
CID 102180802
[(2S)-3-bromo-2-hydroxypropyl] benzoate
CID 102158882
(2-hydroxy-2-propan-2-yloxyethyl) benzoate
CID 162371835
(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400
[(2R,3R,4R)-3,4-dibenzoyloxy-2-hydroxy-5-oxopentyl] benzoate
CID 20599066
methane;[(2S,3R)-4,4,4-trifluoro-2,3-dihydroxybutyl] benzoate;(2S,3R)-1,1,1-trifluoropentane-2,3-diol
CID 157079554
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[3-(benzoyloxymethyl)-2-benzyl-4-phenylbutyl] benzoate
CID 141068150
[(2R)-2-amino-3-chloropropyl] benzoate
CID 40622479

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate?
The IUPAC name of [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate (CID 14018806) is [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate.
What is the SMILES notation for [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate?
The canonical SMILES for [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate is O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate?
The InChIKey is LDFVROHMRYBVGB-BRSBDYLESA-N. The full InChI is InChI=1S/C20H22O8/c21-15(11-27-19(25)13-7-3-1-4-8-13)17(23)18(24)16(22)12-28-20(26)14-9-5-2-6-10-14/h1-10,15-18,21-24H,11-12H2/t15-,16-,17-,18-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate?
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate has a molecular weight of 390.39 g/mol, XLogP of 0.14, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate is sourced from PubChem (CID 14018806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).