disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide

C6H12Na2O8 — CID 174988802

IUPACdisodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide
SMILESO=C([O-])C(O)C(O)C(O)C(O)CO.[Na+].[Na+].[OH-]
InChIInChI=1S/C6H12O7.2Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2-5,7-11H,1H2,(H,12,13);;;1H2/q;2*+1;/p-2
InChIKeyVCXQIEYZYGNJCW-UHFFFAOYSA-L
MW258.13 g/mol
LogP-11.00
Rot. Bonds5

About disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide

disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide (PubChem CID 174988802) has the molecular formula C6H12Na2O8 and a molecular weight of 258.13 g/mol. Its IUPAC name is disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide.

Molecular Properties

Compound Namedisodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide
PubChem CID174988802
Molecular FormulaC6H12Na2O8
Molecular Weight258.13 g/mol
Exact Mass258.03
IUPAC Namedisodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide
SMILESO=C([O-])C(O)C(O)C(O)C(O)CO.[Na+].[Na+].[OH-]
InChIInChI=1S/C6H12O7.2Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2-5,7-11H,1H2,(H,12,13);;;1H2/q;2*+1;/p-2
InChIKeyVCXQIEYZYGNJCW-UHFFFAOYSA-L
XLogP-11.00
TPSA171.28 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 5-11.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

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
CID 171700327
CID 171700327
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492

Frequently Asked Questions

What is the IUPAC name of disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide?
The IUPAC name of disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide (CID 174988802) is disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide.
What is the SMILES notation for disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide?
The canonical SMILES for disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide is O=C([O-])C(O)C(O)C(O)C(O)CO.[Na+].[Na+].[OH-].
What is the InChIKey of disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide?
The InChIKey is VCXQIEYZYGNJCW-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12O7.2Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2-5,7-11H,1H2,(H,12,13);;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide?
disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide has a molecular weight of 258.13 g/mol, XLogP of -11.00, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide is sourced from PubChem (CID 174988802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).