(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol

C13H22O7 — CID 10565413

IUPAC(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol
SMILESOC[C@@H]1CC=C[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1
InChIInChI=1S/C13H22O7/c14-5-8-3-1-2-7(19-8)4-9-11(16)13(18)12(17)10(6-15)20-9/h1-2,7-18H,3-6H2/t7-,8-,9+,10+,11-,12+,13+/m0/s1
InChIKeySKUWKAZRFLXWJD-QCECGRHHSA-N
MW290.31 g/mol
LogP-2.08
Rot. Bonds4

About (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol (PubChem CID 10565413) has the molecular formula C13H22O7 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol
PubChem CID10565413
Molecular FormulaC13H22O7
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol
SMILESOC[C@@H]1CC=C[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1
InChIInChI=1S/C13H22O7/c14-5-8-3-1-2-7(19-8)4-9-11(16)13(18)12(17)10(6-15)20-9/h1-2,7-18H,3-6H2/t7-,8-,9+,10+,11-,12+,13+/m0/s1
InChIKeySKUWKAZRFLXWJD-QCECGRHHSA-N
XLogP-2.08
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 5-2.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol with MolForge

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Related Compounds

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
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
(2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 132577321
(2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
CID 155627540
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol (CID 10565413) is (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol is OC[C@@H]1CC=C[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1.
What is the InChIKey of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol?
The InChIKey is SKUWKAZRFLXWJD-QCECGRHHSA-N. The full InChI is InChI=1S/C13H22O7/c14-5-8-3-1-2-7(19-8)4-9-11(16)13(18)12(17)10(6-15)20-9/h1-2,7-18H,3-6H2/t7-,8-,9+,10+,11-,12+,13+/m0/s1.
What are the key properties of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol?
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol has a molecular weight of 290.31 g/mol, XLogP of -2.08, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]methyl]oxane-3,4,5-triol is sourced from PubChem (CID 10565413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).