potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol

C16H21KN2O4S2 — CID 174533027

IUPACpotassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O.[H-].[K+]
InChIInChI=1S/C16H20N2O4S2.K.H/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;;/q;+1;-1
InChIKeyHGBDPDWPCDMCMV-UHFFFAOYSA-N
MW408.59 g/mol
LogP-0.31
Rot. Bonds7

About potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol

potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 174533027) has the molecular formula C16H21KN2O4S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Namepotassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID174533027
Molecular FormulaC16H21KN2O4S2
Molecular Weight408.59 g/mol
Exact Mass408.06
IUPAC Namepotassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O.[H-].[K+]
InChIInChI=1S/C16H20N2O4S2.K.H/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;;/q;+1;-1
InChIKeyHGBDPDWPCDMCMV-UHFFFAOYSA-N
XLogP-0.31
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[5-[[[4-(azaniumylmethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-3-hydroxy-2-methyl-4-pyridinyl]methylazanium
CID 7037586
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
3-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]propyl benzoate
CID 131880588
5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 20577176
4-(hydroxymethyl)-5-(isothiocyanatomethyl)-2-methylpyridin-3-ol
CID 165352065
[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylsulfanyl carbamodithioate
CID 154312040
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hexanedioic acid
CID 175280730
4-(hydroxymethyl)-2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyridin-3-ol
CID 2776820
1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethanone
CID 23342911
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthiourea
CID 3034970
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl phosphate
CID 24794348
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
CID 158995551

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol (CID 174533027) is potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O.[H-].[K+].
What is the InChIKey of potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is HGBDPDWPCDMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2.K.H/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 408.59 g/mol, XLogP of -0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 174533027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).