(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol

C13H25NO9 — CID 11461899

IUPAC(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol
SMILESOC[C@H]1N[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H25NO9/c15-2-5-9(18)12(21)8(17)4(14-5)1-6-10(19)13(22)11(20)7(3-16)23-6/h4-22H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12+,13+/m0/s1
InChIKeyFCVKRBTWKVIGCC-NNPFOJNKSA-N
MW339.34 g/mol
LogP-5.37
Rot. Bonds4

About (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol

(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol (PubChem CID 11461899) has the molecular formula C13H25NO9 and a molecular weight of 339.34 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol
PubChem CID11461899
Molecular FormulaC13H25NO9
Molecular Weight339.34 g/mol
Exact Mass339.15
IUPAC Name(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol
SMILESOC[C@H]1N[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H25NO9/c15-2-5-9(18)12(21)8(17)4(14-5)1-6-10(19)13(22)11(20)7(3-16)23-6/h4-22H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12+,13+/m0/s1
InChIKeyFCVKRBTWKVIGCC-NNPFOJNKSA-N
XLogP-5.37
TPSA183.10 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.34
LogP ≤ 5-5.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol with MolForge

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Related Compounds

2-[(2R,3R,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidin-4-yl]acetic acid
CID 101228688
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,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 134853723
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
(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
(2R,3S,4S,5S,6R)-2-[(2R,3R,5R,6R)-3,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10089530
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
(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
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol (CID 11461899) is (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol is OC[C@H]1N[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is FCVKRBTWKVIGCC-NNPFOJNKSA-N. The full InChI is InChI=1S/C13H25NO9/c15-2-5-9(18)12(21)8(17)4(14-5)1-6-10(19)13(22)11(20)7(3-16)23-6/h4-22H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12+,13+/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol?
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 339.34 g/mol, XLogP of -5.37, 4 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 11461899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).