sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate

C7H15NaO9 — CID 86586928

IUPACsodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate
SMILESO=C([O-])O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Na+]
InChIInChI=1S/C6H14O6.CH2O3.Na/c7-1-3(9)5(11)6(12)4(10)2-8;2-1(3)4;/h3-12H,1-2H2;(H2,2,3,4);/q;;+1/p-1/t3-,4+,5-,6-;;/m1../s1
InChIKeyYLTOZVJEXVANQG-MGXNYLRYSA-M
MW266.18 g/mol
LogP-7.69
Rot. Bonds5

About sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate

sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate (PubChem CID 86586928) has the molecular formula C7H15NaO9 and a molecular weight of 266.18 g/mol. Its IUPAC name is sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate.

Molecular Properties

Compound Namesodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate
PubChem CID86586928
Molecular FormulaC7H15NaO9
Molecular Weight266.18 g/mol
Exact Mass266.06
IUPAC Namesodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate
SMILESO=C([O-])O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Na+]
InChIInChI=1S/C6H14O6.CH2O3.Na/c7-1-3(9)5(11)6(12)4(10)2-8;2-1(3)4;/h3-12H,1-2H2;(H2,2,3,4);/q;;+1/p-1/t3-,4+,5-,6-;;/m1../s1
InChIKeyYLTOZVJEXVANQG-MGXNYLRYSA-M
XLogP-7.69
TPSA181.74 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.18
LogP ≤ 5-7.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate with MolForge

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Related Compounds

disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide
CID 174988802
sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87659891
sodium;iron(3+);tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 56841898
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
sodium;(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanoate;dihydrate
CID 135392401
dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905
CID 23618074
CID 23618074
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
dizinc;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 175791936

Frequently Asked Questions

What is the IUPAC name of sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate?
The IUPAC name of sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate (CID 86586928) is sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate.
What is the SMILES notation for sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate?
The canonical SMILES for sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate is O=C([O-])O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Na+].
What is the InChIKey of sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate?
The InChIKey is YLTOZVJEXVANQG-MGXNYLRYSA-M. The full InChI is InChI=1S/C6H14O6.CH2O3.Na/c7-1-3(9)5(11)6(12)4(10)2-8;2-1(3)4;/h3-12H,1-2H2;(H2,2,3,4);/q;;+1/p-1/t3-,4+,5-,6-;;/m1../s1.
What are the key properties of sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate?
sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate has a molecular weight of 266.18 g/mol, XLogP of -7.69, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate is sourced from PubChem (CID 86586928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).