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

C12H20O8 — CID 162911293

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol
SMILESC[C@H]1OC=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
InChIKeySCLGLFRXJNHKQZ-FYKVHUBJSA-N
MW292.28 g/mol
LogP-2.54
Rot. Bonds3

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 162911293) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol
PubChem CID162911293
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol
SMILESC[C@H]1OC=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
InChIKeySCLGLFRXJNHKQZ-FYKVHUBJSA-N
XLogP-2.54
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-2.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol (CID 162911293) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol is C[C@H]1OC=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is SCLGLFRXJNHKQZ-FYKVHUBJSA-N. The full InChI is InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 292.28 g/mol, XLogP of -2.54, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 162911293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).