[(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate

C19H18O7 — CID 101108085

IUPAC[(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate
SMILESO=C(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O7/c20-14-11-24-19(26-18(23)13-9-5-2-6-10-13)16(15(14)21)25-17(22)12-7-3-1-4-8-12/h1-10,14-16,19-21H,11H2/t14-,15-,16+,19+/m0/s1
InChIKeyAWNADEXWHXWRCO-YIOZNXECSA-N
MW358.35 g/mol
LogP1.15
Rot. Bonds4

About [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate

[(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate (PubChem CID 101108085) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate
PubChem CID101108085
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name[(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate
SMILESO=C(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O7/c20-14-11-24-19(26-18(23)13-9-5-2-6-10-13)16(15(14)21)25-17(22)12-7-3-1-4-8-12/h1-10,14-16,19-21H,11H2/t14-,15-,16+,19+/m0/s1
InChIKeyAWNADEXWHXWRCO-YIOZNXECSA-N
XLogP1.15
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl] benzoate
CID 70302229
[(2S,3R,4R,5R)-2-chloro-4,5-dihydroxyoxan-3-yl] benzoate
CID 67675297
[(2R,3S,4R,5R)-2,5-dibenzoyloxy-4-hydroxyoxolan-3-yl] benzoate
CID 102284736
[(3R,4S)-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
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[(3S,4R,5S,6R)-4,6-dibenzoyloxy-5-methoxyoxan-3-yl] benzoate
CID 163022337
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] benzoate
CID 102478995
[(1R,2S,3R,4S,5S,6R)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 11090365
[(1R,3S,4R,6S)-3-benzoyloxy-2,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 10862027
[(1R,2S,3R,4S,5S,6S)-3,4-dibenzoyloxy-2,5,6-trihydroxycyclohexyl] benzoate
CID 10863923
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
[(2S,3S,4S,5S)-5-amino-4-hydroxy-2-prop-2-enoxyoxan-3-yl] benzoate
CID 139409454
[(2S,3R,4S,5R,6S)-2,3-dibenzoyloxy-5-hydroxy-6-methyloxan-4-yl] benzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate?
The IUPAC name of [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate (CID 101108085) is [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate.
What is the SMILES notation for [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate?
The canonical SMILES for [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate is O=C(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate?
The InChIKey is AWNADEXWHXWRCO-YIOZNXECSA-N. The full InChI is InChI=1S/C19H18O7/c20-14-11-24-19(26-18(23)13-9-5-2-6-10-13)16(15(14)21)25-17(22)12-7-3-1-4-8-12/h1-10,14-16,19-21H,11H2/t14-,15-,16+,19+/m0/s1.
What are the key properties of [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate?
[(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate has a molecular weight of 358.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate is sourced from PubChem (CID 101108085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).