(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one

C6H11NO5 — CID 172642030

IUPAC(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1NC(CO)[C@@H](O)[C@@H](O)C1O
InChIInChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)/t2?,3-,4-,5?/m1/s1
InChIKeyAJJXPYDGVXIEHE-UUUZDELHSA-N
MW177.16 g/mol
LogP-3.44
Rot. Bonds1

About (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one

(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one (PubChem CID 172642030) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
PubChem CID172642030
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1NC(CO)[C@@H](O)[C@@H](O)C1O
InChIInChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)/t2?,3-,4-,5?/m1/s1
InChIKeyAJJXPYDGVXIEHE-UUUZDELHSA-N
XLogP-3.44
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-3.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 54491574
(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 57319641
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 89395311
(3R,4R,5S)-5-(hydroxymethyl)-3,4-dimethylpyrrolidin-2-one
CID 129405542
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
(3S,3aS,7aR)-3-(hydroxymethyl)-2,3,3a,4,7,7a-hexahydroisoindol-1-one
CID 67518726
(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 118414769
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one
CID 151073859
(3S,3aS,7aR)-3-(hydroxymethyl)-5,6-dimethyl-2,3,3a,4,7,7a-hexahydroisoindol-1-one
CID 11745553
4-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino]butylazanium
CID 135797423

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one (CID 172642030) is (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one is O=C1NC(CO)[C@@H](O)[C@@H](O)C1O.
What is the InChIKey of (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
The InChIKey is AJJXPYDGVXIEHE-UUUZDELHSA-N. The full InChI is InChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)/t2?,3-,4-,5?/m1/s1.
What are the key properties of (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one has a molecular weight of 177.16 g/mol, XLogP of -3.44, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 172642030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).