(2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H19NO6 — CID 90292027

IUPAC(2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=Cc1ccc(CO[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)cn1
InChIInChI=1S/C14H19NO6/c1-2-9-4-3-8(5-15-9)7-20-14-13(19)12(18)11(17)10(6-16)21-14/h2-5,10-14,16-19H,1,6-7H2/t10?,11-,12?,13+,14-/m1/s1
InChIKeyXHQSEJHLKCVEDG-LNNYQDNLSA-N
MW297.31 g/mol
LogP-0.96
Rot. Bonds5

About (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90292027) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID90292027
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=Cc1ccc(CO[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)cn1
InChIInChI=1S/C14H19NO6/c1-2-9-4-3-8(5-15-9)7-20-14-13(19)12(18)11(17)10(6-16)21-14/h2-5,10-14,16-19H,1,6-7H2/t10?,11-,12?,13+,14-/m1/s1
InChIKeyXHQSEJHLKCVEDG-LNNYQDNLSA-N
XLogP-0.96
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
CID 102329612
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(pyridin-3-ylmethoxy)oxane-3,4,5-triol
CID 101108069
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2R,3R,4S,5S,6R)-2-[(4-buta-2,3-dienoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46882749
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol
CID 102593926
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(4-tert-butylphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11627270
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 11539901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966
2-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]benzoic acid
CID 66850653

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90292027) is (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C=Cc1ccc(CO[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)cn1.
What is the InChIKey of (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is XHQSEJHLKCVEDG-LNNYQDNLSA-N. The full InChI is InChI=1S/C14H19NO6/c1-2-9-4-3-8(5-15-9)7-20-14-13(19)12(18)11(17)10(6-16)21-14/h2-5,10-14,16-19H,1,6-7H2/t10?,11-,12?,13+,14-/m1/s1.
What are the key properties of (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 297.31 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-[(6-ethenyl-3-pyridinyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90292027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).