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

C14H27NO9 — CID 10428141

IUPAC(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol
SMILESCO[C@H]1O[C@H](CC[C@@H]2N[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H27NO9/c1-23-14-13(22)12(21)10(19)7(24-14)3-2-5-8(17)11(20)9(18)6(4-16)15-5/h5-22H,2-4H2,1H3/t5-,6+,7+,8-,9+,10+,11+,12-,13+,14-/m0/s1
InChIKeyAAIYGXVERLLAFI-SCCNGJCOSA-N
MW353.37 g/mol
LogP-4.36
Rot. Bonds5

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

(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol (PubChem CID 10428141) has the molecular formula C14H27NO9 and a molecular weight of 353.37 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol
PubChem CID10428141
Molecular FormulaC14H27NO9
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Name(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol
SMILESCO[C@H]1O[C@H](CC[C@@H]2N[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H27NO9/c1-23-14-13(22)12(21)10(19)7(24-14)3-2-5-8(17)11(20)9(18)6(4-16)15-5/h5-22H,2-4H2,1H3/t5-,6+,7+,8-,9+,10+,11+,12-,13+,14-/m0/s1
InChIKeyAAIYGXVERLLAFI-SCCNGJCOSA-N
XLogP-4.36
TPSA172.10 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 5-4.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(2R,3R,4S,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 100932011
(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol
CID 177463327
(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 134853723
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol (CID 10428141) is (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol is CO[C@H]1O[C@H](CC[C@@H]2N[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,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol?
The InChIKey is AAIYGXVERLLAFI-SCCNGJCOSA-N. The full InChI is InChI=1S/C14H27NO9/c1-23-14-13(22)12(21)10(19)7(24-14)3-2-5-8(17)11(20)9(18)6(4-16)15-5/h5-22H,2-4H2,1H3/t5-,6+,7+,8-,9+,10+,11+,12-,13+,14-/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol has a molecular weight of 353.37 g/mol, XLogP of -4.36, 5 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 10428141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).