sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid

C18H37NaO6 — CID 174758233

IUPACsodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid
SMILESO=C(O)C(O)C(O)C(O)CCCCCCCCCCCCCCO.[H-].[Na+]
InChIInChI=1S/C18H36O6.Na.H/c19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(20)16(21)17(22)18(23)24;;/h15-17,19-22H,1-14H2,(H,23,24);;/q;+1;-1
InChIKeyMZUCPDARDLFANR-UHFFFAOYSA-N
MW372.48 g/mol
LogP-0.67
Rot. Bonds17

About sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid

sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid (PubChem CID 174758233) has the molecular formula C18H37NaO6 and a molecular weight of 372.48 g/mol. Its IUPAC name is sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid.

Molecular Properties

Compound Namesodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid
PubChem CID174758233
Molecular FormulaC18H37NaO6
Molecular Weight372.48 g/mol
Exact Mass372.25
IUPAC Namesodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid
SMILESO=C(O)C(O)C(O)C(O)CCCCCCCCCCCCCCO.[H-].[Na+]
InChIInChI=1S/C18H36O6.Na.H/c19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(20)16(21)17(22)18(23)24;;/h15-17,19-22H,1-14H2,(H,23,24);;/q;+1;-1
InChIKeyMZUCPDARDLFANR-UHFFFAOYSA-N
XLogP-0.67
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid
CID 91281326
2,10-dihydroxydecanoic acid
CID 23158566
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
2,3,4,5-tetrahydroxypentanoic acid
CID 10264
tridecane-1,4,5,13-tetrol
CID 57164237
(3S)-2,3,7-trihydroxyheptanamide
CID 175399258
sodium;hydride;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;stibane
CID 173024779
sodium 9,10,16-trihydroxyhexadecanoate
CID 23716744
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid?
The IUPAC name of sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid (CID 174758233) is sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid.
What is the SMILES notation for sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid?
The canonical SMILES for sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid is O=C(O)C(O)C(O)C(O)CCCCCCCCCCCCCCO.[H-].[Na+].
What is the InChIKey of sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid?
The InChIKey is MZUCPDARDLFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6.Na.H/c19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(20)16(21)17(22)18(23)24;;/h15-17,19-22H,1-14H2,(H,23,24);;/q;+1;-1.
What are the key properties of sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid?
sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid has a molecular weight of 372.48 g/mol, XLogP of -0.67, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid is sourced from PubChem (CID 174758233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).