[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate

C20H20O7 — CID 10547255

IUPAC[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate
SMILESCOC1O[C@H](COC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C20H20O7/c1-23-20-26-16(12-24-18(21)14-8-4-2-5-9-14)17(27-20)13-25-19(22)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyHXXWNWBRZHKIIO-IAGOWNOFSA-N
MW372.37 g/mol
LogP2.41
Rot. Bonds7

About [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate

[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate (PubChem CID 10547255) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate.

Molecular Properties

Compound Name[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate
PubChem CID10547255
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate
SMILESCOC1O[C@H](COC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C20H20O7/c1-23-20-26-16(12-24-18(21)14-8-4-2-5-9-14)17(27-20)13-25-19(22)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyHXXWNWBRZHKIIO-IAGOWNOFSA-N
XLogP2.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
[(4R)-4,5-dihydroxy-3-methoxyoxolan-2-yl]methyl benzoate
CID 130233330
[(2R,3S,5S)-3-hydroxy-4,5-dimethoxyoxolan-2-yl]methyl benzoate
CID 70844005
[(2R,3R,4R,5R,6R)-3,5-dibenzoyloxy-4-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 102185208
(3-fluoro-5-methoxy-4-methyloxolan-2-yl)methyl benzoate
CID 123810467
[(2R,3R,4R,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995738
[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101037423
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dimethoxyoxan-2-yl]methyl benzoate
CID 67062974
(4-acetyloxy-3-methoxy-5-methyloxolan-2-yl)methyl benzoate
CID 167200917
[(2R,3S,4S,5S)-3-benzoyloxy-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101138455
[(2R,3R,4R,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995736

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate?
The IUPAC name of [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate (CID 10547255) is [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate.
What is the SMILES notation for [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate?
The canonical SMILES for [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate is COC1O[C@H](COC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1.
What is the InChIKey of [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate?
The InChIKey is HXXWNWBRZHKIIO-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H20O7/c1-23-20-26-16(12-24-18(21)14-8-4-2-5-9-14)17(27-20)13-25-19(22)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate?
[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate has a molecular weight of 372.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate is sourced from PubChem (CID 10547255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).