sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid

C6H12NaO8+ — CID 175445177

IUPACsodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)C(=O)O.[H+].[H-].[Na+]
InChIInChI=1S/C6H10O8.Na.H/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;+1;-1/p+1
InChIKeySPDDARSPEZFAHO-UHFFFAOYSA-O
MW235.14 g/mol
LogP-6.17
Rot. Bonds5

About sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid

sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid (PubChem CID 175445177) has the molecular formula C6H12NaO8+ and a molecular weight of 235.14 g/mol. Its IUPAC name is sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid.

Molecular Properties

Compound Namesodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
PubChem CID175445177
Molecular FormulaC6H12NaO8+
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Namesodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)C(=O)O.[H+].[H-].[Na+]
InChIInChI=1S/C6H10O8.Na.H/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;+1;-1/p+1
InChIKeySPDDARSPEZFAHO-UHFFFAOYSA-O
XLogP-6.17
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.14
LogP ≤ 5-6.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
CID 173054452
CID 173054452
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
sodium;hydride;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;stibane
CID 173024779
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 167483909
(2S,3S,4S,5R)-6-bromo-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 141336053

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid?
The IUPAC name of sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid (CID 175445177) is sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid.
What is the SMILES notation for sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid?
The canonical SMILES for sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid is O=C(O)C(O)C(O)C(O)C(O)C(=O)O.[H+].[H-].[Na+].
What is the InChIKey of sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid?
The InChIKey is SPDDARSPEZFAHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10O8.Na.H/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;+1;-1/p+1.
What are the key properties of sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid?
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid has a molecular weight of 235.14 g/mol, XLogP of -6.17, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid is sourced from PubChem (CID 175445177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).