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

C7H13NO4 — CID 10773584

IUPAC(2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESC[C@@H]1N=C(CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3,5-7,9-12H,2H2,1H3/t3-,5+,6+,7+/m0/s1
InChIKeyNNPQTLQVHYCKMM-UISOVIGQSA-N
MW175.18 g/mol
LogP-2.10
Rot. Bonds1

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

(2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol (PubChem CID 10773584) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
PubChem CID10773584
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESC[C@@H]1N=C(CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3,5-7,9-12H,2H2,1H3/t3-,5+,6+,7+/m0/s1
InChIKeyNNPQTLQVHYCKMM-UISOVIGQSA-N
XLogP-2.10
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol with MolForge

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Related Compounds

(5R,6R,7S)-2-(dimethylamino)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-4H-1,3-oxazocine-5,6-diol
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(2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
CID 10850384
4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 85221599
(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol
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(2S,3S,4R,5R)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 21145265
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(1R,2R,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
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(1R,6S,7S)-1,7-dimethyl-3,8-diazabicyclo[3.2.1]octan-6-ol
CID 175638369
2,5-dihydroxy-3-methylcyclohexan-1-one
CID 130036383
(3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
CID 143936283
(1S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
CID 58960835
(1S,2S,3R)-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol (CID 10773584) is (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol is C[C@@H]1N=C(CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The InChIKey is NNPQTLQVHYCKMM-UISOVIGQSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3,5-7,9-12H,2H2,1H3/t3-,5+,6+,7+/m0/s1.
What are the key properties of (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
(2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol has a molecular weight of 175.18 g/mol, XLogP of -2.10, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol is sourced from PubChem (CID 10773584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).