(2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol

C13H27NO5 — CID 25229260

IUPAC(2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol
SMILESCC1(C)CC(O)CC(C)(C)N1OC[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H27NO5/c1-12(2)5-9(16)6-13(3,4)14(12)19-8-11(18)10(17)7-15/h9-11,15-18H,5-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyDDQOOUHCLMRYPO-MNOVXSKESA-N
MW277.36 g/mol
LogP-0.35
Rot. Bonds5

About (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol

(2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol (PubChem CID 25229260) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol
PubChem CID25229260
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name(2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol
SMILESCC1(C)CC(O)CC(C)(C)N1OC[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H27NO5/c1-12(2)5-9(16)6-13(3,4)14(12)19-8-11(18)10(17)7-15/h9-11,15-18H,5-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyDDQOOUHCLMRYPO-MNOVXSKESA-N
XLogP-0.35
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol?
The IUPAC name of (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol (CID 25229260) is (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol.
What is the SMILES notation for (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol?
The canonical SMILES for (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol is CC1(C)CC(O)CC(C)(C)N1OC[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol?
The InChIKey is DDQOOUHCLMRYPO-MNOVXSKESA-N. The full InChI is InChI=1S/C13H27NO5/c1-12(2)5-9(16)6-13(3,4)14(12)19-8-11(18)10(17)7-15/h9-11,15-18H,5-8H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol?
(2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol has a molecular weight of 277.36 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,2,3-triol is sourced from PubChem (CID 25229260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).