(2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol

C13H18O6 — CID 57314036

IUPAC(2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol
SMILESCOc1ccc([C@]2(O)[C@@H](O)CO[C@H](CO)[C@@H]2O)cc1
InChIInChI=1S/C13H18O6/c1-18-9-4-2-8(3-5-9)13(17)11(15)7-19-10(6-14)12(13)16/h2-5,10-12,14-17H,6-7H2,1H3/t10-,11+,12+,13+/m1/s1
InChIKeyUITQGEJIAVEWAQ-VOAKCMCISA-N
MW270.28 g/mol
LogP-1.00
Rot. Bonds3

About (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol

(2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol (PubChem CID 57314036) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol
PubChem CID57314036
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name(2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol
SMILESCOc1ccc([C@]2(O)[C@@H](O)CO[C@H](CO)[C@@H]2O)cc1
InChIInChI=1S/C13H18O6/c1-18-9-4-2-8(3-5-9)13(17)11(15)7-19-10(6-14)12(13)16/h2-5,10-12,14-17H,6-7H2,1H3/t10-,11+,12+,13+/m1/s1
InChIKeyUITQGEJIAVEWAQ-VOAKCMCISA-N
XLogP-1.00
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(2S,3S,4S)-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methylsulfanyl]oxolan-3-ol
CID 67648335
7-(4-methoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331888
(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57184983
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 100993548
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
(2R,3R,4S,5R)-2-(hydroxymethyl)-4-methoxy-6-(4-methoxyphenoxy)oxane-3,5-diol
CID 146660886
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(3R)-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-yl]oxane-2,3,4,5-tetrol
CID 66919987

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol (CID 57314036) is (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol is COc1ccc([C@]2(O)[C@@H](O)CO[C@H](CO)[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol?
The InChIKey is UITQGEJIAVEWAQ-VOAKCMCISA-N. The full InChI is InChI=1S/C13H18O6/c1-18-9-4-2-8(3-5-9)13(17)11(15)7-19-10(6-14)12(13)16/h2-5,10-12,14-17H,6-7H2,1H3/t10-,11+,12+,13+/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol?
(2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol has a molecular weight of 270.28 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol is sourced from PubChem (CID 57314036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).