[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate

C19H20O8 — CID 163900364

IUPAC[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](O)C(O)[C@@H]1O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H20O8/c20-15-14(27-19(24)17(22)16(15)21)10-25-18(23)11-6-8-13(9-7-11)26-12-4-2-1-3-5-12/h1-9,14-17,19-22,24H,10H2/t14-,15-,16?,17-,19?/m1/s1
InChIKeyQJHMTWZACCXZIJ-FOVNGAOHSA-N
MW376.36 g/mol
LogP0.44
Rot. Bonds5

About [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate

[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate (PubChem CID 163900364) has the molecular formula C19H20O8 and a molecular weight of 376.36 g/mol. Its IUPAC name is [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate.

Molecular Properties

Compound Name[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate
PubChem CID163900364
Molecular FormulaC19H20O8
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](O)C(O)[C@@H]1O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H20O8/c20-15-14(27-19(24)17(22)16(15)21)10-25-18(23)11-6-8-13(9-7-11)26-12-4-2-1-3-5-12/h1-9,14-17,19-22,24H,10H2/t14-,15-,16?,17-,19?/m1/s1
InChIKeyQJHMTWZACCXZIJ-FOVNGAOHSA-N
XLogP0.44
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate with MolForge

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Related Compounds

[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxybenzoate
CID 171123599
2-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxycarbonyl]benzoic acid
CID 3084041
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3,4-dihydroxybenzoate
CID 74323795
[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 175174191
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-hydroxybenzoate
CID 11055674
[(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl 2-methyl-4-phenoxybenzoate
CID 138733206
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
[(4R)-4,5-dihydroxy-3-methoxyoxolan-2-yl]methyl benzoate
CID 130233330
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dihydroxyoxan-2-yl]methyl benzoate
CID 56619465
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3-methoxy-4-phenylmethoxybenzoate
CID 161168989
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-ethyl-3-methylbenzoate
CID 130399974
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate?
The IUPAC name of [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate (CID 163900364) is [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate.
What is the SMILES notation for [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate?
The canonical SMILES for [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate is O=C(OC[C@H]1OC(O)[C@H](O)C(O)[C@@H]1O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate?
The InChIKey is QJHMTWZACCXZIJ-FOVNGAOHSA-N. The full InChI is InChI=1S/C19H20O8/c20-15-14(27-19(24)17(22)16(15)21)10-25-18(23)11-6-8-13(9-7-11)26-12-4-2-1-3-5-12/h1-9,14-17,19-22,24H,10H2/t14-,15-,16?,17-,19?/m1/s1.
What are the key properties of [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate?
[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate has a molecular weight of 376.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-phenoxybenzoate is sourced from PubChem (CID 163900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).