sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium

C6H11NaO8Zr — CID 173362535

IUPACsodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
SMILESO=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.[H-].[Na+].[Zr]
InChIInChI=1S/C6H10O8.Na.Zr.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/t1-,2-,3-,4+;;;/m0.../s1
InChIKeyBJZCYAJAIBANTP-OJPNPICLSA-N
MW325.36 g/mol
LogP-6.29
Rot. Bonds5

About sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium

sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium (PubChem CID 173362535) has the molecular formula C6H11NaO8Zr and a molecular weight of 325.36 g/mol. Its IUPAC name is sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium.

Molecular Properties

Compound Namesodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
PubChem CID173362535
Molecular FormulaC6H11NaO8Zr
Molecular Weight325.36 g/mol
Exact Mass323.94
IUPAC Namesodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
SMILESO=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.[H-].[Na+].[Zr]
InChIInChI=1S/C6H10O8.Na.Zr.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/t1-,2-,3-,4+;;;/m0.../s1
InChIKeyBJZCYAJAIBANTP-OJPNPICLSA-N
XLogP-6.29
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.36
LogP ≤ 5-6.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
(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
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
CID 173054452
CID 173054452
sodium;hydride;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;stibane
CID 173024779
(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 167483909
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium?
The IUPAC name of sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium (CID 173362535) is sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium.
What is the SMILES notation for sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium?
The canonical SMILES for sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium is O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.[H-].[Na+].[Zr].
What is the InChIKey of sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium?
The InChIKey is BJZCYAJAIBANTP-OJPNPICLSA-N. The full InChI is InChI=1S/C6H10O8.Na.Zr.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/t1-,2-,3-,4+;;;/m0.../s1.
What are the key properties of sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium?
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium has a molecular weight of 325.36 g/mol, XLogP of -6.29, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium is sourced from PubChem (CID 173362535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).