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

C13H25NO8 — CID 134969640

IUPAC(2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol
SMILESCO[C@H]1OC(CO)[C@@H](O)C(C[C@@H]2NC[C@@H](O)C(O)C2O)C1O
InChIInChI=1S/C13H25NO8/c1-21-13-10(18)5(9(17)8(4-15)22-13)2-6-11(19)12(20)7(16)3-14-6/h5-20H,2-4H2,1H3/t5?,6-,7+,8?,9-,10?,11?,12?,13-/m0/s1
InChIKeyLYSWJRSPYZKHCG-ZEEMHMCQSA-N
MW323.34 g/mol
LogP-3.87
Rot. Bonds4

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

(2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol (PubChem CID 134969640) has the molecular formula C13H25NO8 and a molecular weight of 323.34 g/mol. Its IUPAC name is (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol
PubChem CID134969640
Molecular FormulaC13H25NO8
Molecular Weight323.34 g/mol
Exact Mass323.16
IUPAC Name(2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol
SMILESCO[C@H]1OC(CO)[C@@H](O)C(C[C@@H]2NC[C@@H](O)C(O)C2O)C1O
InChIInChI=1S/C13H25NO8/c1-21-13-10(18)5(9(17)8(4-15)22-13)2-6-11(19)12(20)7(16)3-14-6/h5-20H,2-4H2,1H3/t5?,6-,7+,8?,9-,10?,11?,12?,13-/m0/s1
InChIKeyLYSWJRSPYZKHCG-ZEEMHMCQSA-N
XLogP-3.87
TPSA151.87 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.34
LogP ≤ 5-3.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
CID 457676
Glucose beta-1,3-isofagamine
CID 4369540
(3r,4r,5r)-3-Hydroxy-5-(Hydroxymethyl)piperidin-4-Yl Beta-D-Glucopyranoside
CID 5288612
N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(2-tetradecylhexadecoxy)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 44433851
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
CID 70461665
(2R,3S,4S,5R,6R)-2-[(2-ethylhexylamino)methyl]-6-[(2R,3R,4S,5S,6R)-6-[(2-ethylhexylamino)methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 10929804
(2R,3R,4S,5S,6R)-2-[(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-1-ium-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 24916936
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)piperidin-1-ium-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72200738
(2S,3R,4S,5S,6R)-2-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-1-ium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72200793
(2R,3S,4S,5S,6R)-2-[(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-1-ium-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 117071766
(2S,3S,4S,5S,6R)-2-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-1-ium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 117072320
(2R,3S,4R,5R,7S,9R,10R,11S,12S,13S)-2-ethyl-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-3,4,9-triol
CID 154699974

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol (CID 134969640) is (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol is CO[C@H]1OC(CO)[C@@H](O)C(C[C@@H]2NC[C@@H](O)C(O)C2O)C1O.
What is the InChIKey of (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is LYSWJRSPYZKHCG-ZEEMHMCQSA-N. The full InChI is InChI=1S/C13H25NO8/c1-21-13-10(18)5(9(17)8(4-15)22-13)2-6-11(19)12(20)7(16)3-14-6/h5-20H,2-4H2,1H3/t5?,6-,7+,8?,9-,10?,11?,12?,13-/m0/s1.
What are the key properties of (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol?
(2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 323.34 g/mol, XLogP of -3.87, 4 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 134969640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).