(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one

C6H11NO6 — CID 101158160

IUPAC(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1[C@H](O)[C@@H](O)[C@H](O)[C@H](CO)N1O
InChIInChI=1S/C6H11NO6/c8-1-2-3(9)4(10)5(11)6(12)7(2)13/h2-5,8-11,13H,1H2/t2-,3+,4-,5+/m0/s1
InChIKeyHPDVKODANCVXAZ-SKNVOMKLSA-N
MW193.16 g/mol
LogP-3.34
Rot. Bonds1

About (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one

(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one (PubChem CID 101158160) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one
PubChem CID101158160
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1[C@H](O)[C@@H](O)[C@H](O)[C@H](CO)N1O
InChIInChI=1S/C6H11NO6/c8-1-2-3(9)4(10)5(11)6(12)7(2)13/h2-5,8-11,13H,1H2/t2-,3+,4-,5+/m0/s1
InChIKeyHPDVKODANCVXAZ-SKNVOMKLSA-N
XLogP-3.34
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-3.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

4,5-dihydroxy-6-(hydroxymethyl)-2-methyldiazinan-3-one
CID 85212921
(4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyldiazinan-3-one
CID 101067779
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10703824
(5R,6R,7S)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-6,7-diol
CID 11745058
(4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
CID 89030305
methyl 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
CID 11254281
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 172642030
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
CID 44566015
(3R,4S,5S,6R)-3,4,5,6-tetrahydroxy-1-(6-hydroxyhexyl)azepan-2-one
CID 57338756
(3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one
CID 118549630

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one (CID 101158160) is (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one is O=C1[C@H](O)[C@@H](O)[C@H](O)[C@H](CO)N1O.
What is the InChIKey of (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one?
The InChIKey is HPDVKODANCVXAZ-SKNVOMKLSA-N. The full InChI is InChI=1S/C6H11NO6/c8-1-2-3(9)4(10)5(11)6(12)7(2)13/h2-5,8-11,13H,1H2/t2-,3+,4-,5+/m0/s1.
What are the key properties of (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one?
(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one has a molecular weight of 193.16 g/mol, XLogP of -3.34, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 101158160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).