[(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate

C13H16O8 — CID 142307944

IUPAC[(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate
SMILESO=C(O[C@@H]1C(O)[C@H](O)OC(CO)[C@H]1O)c1ccccc1O
InChIInChI=1S/C13H16O8/c14-5-8-9(16)11(10(17)13(19)20-8)21-12(18)6-3-1-2-4-7(6)15/h1-4,8-11,13-17,19H,5H2/t8?,9-,10?,11+,13-/m1/s1
InChIKeyRWXJWIIQYNPPIG-HTTQBWPJSA-N
MW300.26 g/mol
LogP-1.65
Rot. Bonds3

About [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate

[(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate (PubChem CID 142307944) has the molecular formula C13H16O8 and a molecular weight of 300.26 g/mol. Its IUPAC name is [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate
PubChem CID142307944
Molecular FormulaC13H16O8
Molecular Weight300.26 g/mol
Exact Mass300.08
IUPAC Name[(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate
SMILESO=C(O[C@@H]1C(O)[C@H](O)OC(CO)[C@H]1O)c1ccccc1O
InChIInChI=1S/C13H16O8/c14-5-8-9(16)11(10(17)13(19)20-8)21-12(18)6-3-1-2-4-7(6)15/h1-4,8-11,13-17,19H,5H2/t8?,9-,10?,11+,13-/m1/s1
InChIKeyRWXJWIIQYNPPIG-HTTQBWPJSA-N
XLogP-1.65
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47S,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,49,50,51,52,53,54,55,56-pentadecahydroxy-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-48-yl] 2-hydroxybenzoate
CID 177384912
[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate
CID 175960812
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 2-fluorobenzoate
CID 175563752
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-hydroxybenzoate
CID 11055674
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
[(2R,3S,4S,5R,6R)-5-benzoyloxy-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] benzoate
CID 150845451
(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;methyl 2-hydroxybenzoate
CID 174972702
[(2R,3R,4R,5R)-4-benzoyloxy-5-hydroxy-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 70179922
[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
CID 163015860
[(2R,3S,4S,5R,6R)-2,3-dibenzoyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
CID 141037484

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate?
The IUPAC name of [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate (CID 142307944) is [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate.
What is the SMILES notation for [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate?
The canonical SMILES for [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate is O=C(O[C@@H]1C(O)[C@H](O)OC(CO)[C@H]1O)c1ccccc1O.
What is the InChIKey of [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate?
The InChIKey is RWXJWIIQYNPPIG-HTTQBWPJSA-N. The full InChI is InChI=1S/C13H16O8/c14-5-8-9(16)11(10(17)13(19)20-8)21-12(18)6-3-1-2-4-7(6)15/h1-4,8-11,13-17,19H,5H2/t8?,9-,10?,11+,13-/m1/s1.
What are the key properties of [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate?
[(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate has a molecular weight of 300.26 g/mol, XLogP of -1.65, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-hydroxybenzoate is sourced from PubChem (CID 142307944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).