(3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol

C6H11NO5 — CID 140745514

IUPAC(3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol
SMILESOCC1=NC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h3-6,8-12H,1H2/t3-,4+,5-,6?/m1/s1
InChIKeyAOKJYAODGFPUQL-IANNHFEVSA-N
MW177.16 g/mol
LogP-3.17
Rot. Bonds1

About (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol

(3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol (PubChem CID 140745514) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol
PubChem CID140745514
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol
SMILESOCC1=NC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h3-6,8-12H,1H2/t3-,4+,5-,6?/m1/s1
InChIKeyAOKJYAODGFPUQL-IANNHFEVSA-N
XLogP-3.17
TPSA113.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-3.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 44319901
(2R,3R,4S,5S)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 447651
(2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
CID 10725663
(2R,3R,4R)-2,5-Bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
CID 10725664
(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 10352013
2-(Hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 67042248
1-Hydroxy-2,6-bis(hydroxymethyl)-2,3,4,5-tetrahydropyridin-1-ium-3,4,5-triol
CID 71148369
(3R,4R,5S)-2-butyliminohexane-1,3,4,5-tetrol
CID 87129188
(3R,4R,5S)-2-hexyliminohexane-1,3,4,5-tetrol
CID 87433785
(2R,3R,4R)-2,6-bis(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4-diol
CID 89102092
1-Hydroxy-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-1-ium-3,4,5-triol
CID 89313259
1-Hydroxy-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-1-ium-3,4,5-triol
CID 89313260

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol (CID 140745514) is (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol is OCC1=NC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol?
The InChIKey is AOKJYAODGFPUQL-IANNHFEVSA-N. The full InChI is InChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h3-6,8-12H,1H2/t3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol?
(3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol has a molecular weight of 177.16 g/mol, XLogP of -3.17, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol is sourced from PubChem (CID 140745514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).