calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate

C6H16CaCl4KNaO8 — CID 24848002

IUPACcalcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate
SMILESO.O.OCC1OC(O)C(O)C(O)C1O.[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[Na+]
InChIInChI=1S/C6H12O6.Ca.4ClH.K.Na.2H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;;;;;;;;;/h2-11H,1H2;;4*1H;;;2*1H2/q;+2;;;;;2*+1;;/p-4
InChIKeyCCVBVIZSWFSRGG-UHFFFAOYSA-J
MW460.16 g/mol
LogP-23.23
Rot. Bonds1

About calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate

calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate (PubChem CID 24848002) has the molecular formula C6H16CaCl4KNaO8 and a molecular weight of 460.16 g/mol. Its IUPAC name is calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate.

Molecular Properties

Compound Namecalcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate
PubChem CID24848002
Molecular FormulaC6H16CaCl4KNaO8
Molecular Weight460.16 g/mol
Exact Mass457.88
IUPAC Namecalcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate
SMILESO.O.OCC1OC(O)C(O)C(O)C1O.[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[Na+]
InChIInChI=1S/C6H12O6.Ca.4ClH.K.Na.2H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;;;;;;;;;/h2-11H,1H2;;4*1H;;;2*1H2/q;+2;;;;;2*+1;;/p-4
InChIKeyCCVBVIZSWFSRGG-UHFFFAOYSA-J
XLogP-23.23
TPSA173.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.16
LogP ≤ 5-23.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855

Frequently Asked Questions

What is the IUPAC name of calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate?
The IUPAC name of calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate (CID 24848002) is calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate.
What is the SMILES notation for calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate?
The canonical SMILES for calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate is O.O.OCC1OC(O)C(O)C(O)C1O.[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[Na+].
What is the InChIKey of calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate?
The InChIKey is CCVBVIZSWFSRGG-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H12O6.Ca.4ClH.K.Na.2H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;;;;;;;;;/h2-11H,1H2;;4*1H;;;2*1H2/q;+2;;;;;2*+1;;/p-4.
What are the key properties of calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate?
calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate has a molecular weight of 460.16 g/mol, XLogP of -23.23, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;potassium;sodium;6-(hydroxymethyl)oxane-2,3,4,5-tetrol;tetrachloride;dihydrate is sourced from PubChem (CID 24848002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).