(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde

C13H16O6 — CID 10849475

IUPAC(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde
SMILESO=C[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H16O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2/t9-,10+,11+,12-,13-/m1/s1
InChIKeyBMOZUSQKMVZFGR-KSSYENDESA-N
MW268.26 g/mol
LogP-0.79
Rot. Bonds4

About (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde

(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde (PubChem CID 10849475) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde
PubChem CID10849475
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde
SMILESO=C[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H16O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2/t9-,10+,11+,12-,13-/m1/s1
InChIKeyBMOZUSQKMVZFGR-KSSYENDESA-N
XLogP-0.79
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde 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

(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol
CID 56839704
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3S,4S,5S,6S)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995015
(2R,3R,4S,5S,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995019
(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde;(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
CID 88606195
(3R,4S,5S,6R)-2-phenylmethoxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 163193773
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
CID 102023507
2,2-dimethyl-3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]propanoic acid
CID 163101282

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde?
The IUPAC name of (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde (CID 10849475) is (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde.
What is the SMILES notation for (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde?
The canonical SMILES for (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde is O=C[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde?
The InChIKey is BMOZUSQKMVZFGR-KSSYENDESA-N. The full InChI is InChI=1S/C13H16O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2/t9-,10+,11+,12-,13-/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde?
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde has a molecular weight of 268.26 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde is sourced from PubChem (CID 10849475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).