(3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one

C10H17NO7 — CID 46936767

IUPAC(3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one
SMILESO=C1NCC[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5+,6-,7+,8+,10-/m0/s1
InChIKeyBHZMHPRIYUPDCT-SANCVPIZSA-N
MW263.25 g/mol
LogP-3.31
Rot. Bonds2

About (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one

(3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one (PubChem CID 46936767) has the molecular formula C10H17NO7 and a molecular weight of 263.25 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one
PubChem CID46936767
Molecular FormulaC10H17NO7
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name(3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one
SMILESO=C1NCC[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5+,6-,7+,8+,10-/m0/s1
InChIKeyBHZMHPRIYUPDCT-SANCVPIZSA-N
XLogP-3.31
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-3.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2S,4S,5R)-2-[(3R,4R,6S)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-4,5-dihydroxy-6-[(3R,4R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 177095235
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 5289597
(2R,3R,4S,5R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 125121442
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-sulfanyloxan-3-yl]oxyoxane-3,4,5-triol
CID 10929340
(2R,3S,4R,5S)-3-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,4,5-triol
CID 156616764
2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol
CID 4631608
(3R,4S,5S,6R,10R,11S,12S,17R,18S,19S,20R,24R,25S,26S,27R,31R,32S,33S,34R,38R,39S,40S,41R,45R,46S,47S,48R,52R,53S,54S,55R)-3,4,5,6,10,11,12,13,17,18,19,20,24,25,26,27,31,32,33,34,38,39,40,41,45,46,47,48,52,53,54,55-dotriacontahydroxy-1,8,15,22,29,36,43,50-octazacyclohexapentacontane-2,9,16,23,30,37,44,51-octone
CID 177404320
(2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-4-hydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 171933352
(2R,3R,4S,5R)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 91859051
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-5-hydroxy-4-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 171125263
[(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate
CID 94203015

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one?
The IUPAC name of (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one (CID 46936767) is (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one.
What is the SMILES notation for (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one?
The canonical SMILES for (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one is O=C1NCC[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O.
What is the InChIKey of (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one?
The InChIKey is BHZMHPRIYUPDCT-SANCVPIZSA-N. The full InChI is InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5+,6-,7+,8+,10-/m0/s1.
What are the key properties of (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one?
(3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one has a molecular weight of 263.25 g/mol, XLogP of -3.31, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one is sourced from PubChem (CID 46936767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).