(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol

C14H20O6 — CID 147784913

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(CCOc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20O6/c15-8-11-13(17)14(18)12(16)10(20-11)6-7-19-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10?,11-,12+,13-,14-/m1/s1
InChIKeyHIMMVOBDCGPHNZ-ZLMOABSSSA-N
MW284.31 g/mol
LogP-0.70
Rot. Bonds5

About (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol

(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol (PubChem CID 147784913) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol
PubChem CID147784913
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(CCOc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20O6/c15-8-11-13(17)14(18)12(16)10(20-11)6-7-19-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10?,11-,12+,13-,14-/m1/s1
InChIKeyHIMMVOBDCGPHNZ-ZLMOABSSSA-N
XLogP-0.70
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
[3-(phenoxymethyl)oxiran-2-yl]methanol
CID 174606706
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
CID 90897756
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
CID 172642131
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate;dihydrochloride
CID 174926866
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-phenylmethoxyphenyl)methylsulfanyl]oxane-3,4,5-triol
CID 25182955

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol (CID 147784913) is (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol is OC[C@H]1OC(CCOc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol?
The InChIKey is HIMMVOBDCGPHNZ-ZLMOABSSSA-N. The full InChI is InChI=1S/C14H20O6/c15-8-11-13(17)14(18)12(16)10(20-11)6-7-19-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10?,11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol has a molecular weight of 284.31 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol is sourced from PubChem (CID 147784913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).