(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

C13H25NO10 — CID 10089530

IUPAC(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
SMILESOC[C@H]1N[C@H](CO)[C@@H](O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C13H25NO10/c15-1-4-7(18)12(8(19)5(2-16)14-4)24-13-11(22)10(21)9(20)6(3-17)23-13/h4-22H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,13-/m1/s1
InChIKeyBCMMZBDYQOBSMS-FBYWOKCKSA-N
MW355.34 g/mol
LogP-5.78
Rot. Bonds5

About (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

(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 (PubChem CID 10089530) has the molecular formula C13H25NO10 and a molecular weight of 355.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10089530
Molecular FormulaC13H25NO10
Molecular Weight355.34 g/mol
Exact Mass355.15
IUPAC Name(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
SMILESOC[C@H]1N[C@H](CO)[C@@H](O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C13H25NO10/c15-1-4-7(18)12(8(19)5(2-16)14-4)24-13-11(22)10(21)9(20)6(3-17)23-13/h4-22H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,13-/m1/s1
InChIKeyBCMMZBDYQOBSMS-FBYWOKCKSA-N
XLogP-5.78
TPSA192.33 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500355.34
LogP ≤ 5-5.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Related Compounds

(1S,2R,4R,5S)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 162937469
6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 54385408
(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 154452066
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 162946795
(3S,4S,5S,6R)-6-(hydroxymethyl)-4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 68977357
(3R,4R,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 156619561
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 52939789
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC[C@H]1N[C@H](CO)[C@@H](O)C(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,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?
The InChIKey is BCMMZBDYQOBSMS-FBYWOKCKSA-N. The full InChI is InChI=1S/C13H25NO10/c15-1-4-7(18)12(8(19)5(2-16)14-4)24-13-11(22)10(21)9(20)6(3-17)23-13/h4-22H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 355.34 g/mol, XLogP of -5.78, 5 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10089530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).