magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate

C7H16MgO8 — CID 173053155

IUPACmagnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate
SMILESO=C(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H14O8.Mg.2H/c8-1-3(9)5(11)6(12)4(10)2-15-7(13)14;;;/h3-6,8-12H,1-2H2,(H,13,14);;;/q;+2;2*-1/t3-,4-,5-,6-;;;/m1.../s1
InChIKeyXQUAZUDWNTYRQU-KPGAZFBQSA-N
MW252.50 g/mol
LogP-3.04
Rot. Bonds6

About magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate

magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate (PubChem CID 173053155) has the molecular formula C7H16MgO8 and a molecular weight of 252.50 g/mol. Its IUPAC name is magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate.

Molecular Properties

Compound Namemagnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate
PubChem CID173053155
Molecular FormulaC7H16MgO8
Molecular Weight252.50 g/mol
Exact Mass252.07
IUPAC Namemagnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate
SMILESO=C(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H14O8.Mg.2H/c8-1-3(9)5(11)6(12)4(10)2-15-7(13)14;;;/h3-6,8-12H,1-2H2,(H,13,14);;;/q;+2;2*-1/t3-,4-,5-,6-;;;/m1.../s1
InChIKeyXQUAZUDWNTYRQU-KPGAZFBQSA-N
XLogP-3.04
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.50
LogP ≤ 5-3.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
CID 54465409
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 90401514
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-6-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]hexanoic acid
CID 57190558
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] hydrogen carbonate
CID 87133992
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] prop-2-enoate
CID 54377750
[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] 3-hydroxybutanoate
CID 166926018
[(2S,3S,4R,5R)-1,2-dicarboxyoxy-4,5,6-trihydroxyhexan-3-yl] hydrogen carbonate
CID 54363619
2-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propanoic acid
CID 57194035
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] 2-hydroxypropanoate
CID 54017889
magnesium;hydride;λ2-stannane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 173075138
2,3,4,5,6-pentahydroxyhexyl 2-methylbut-2-enoate
CID 141180344
[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyhexoxymethoxy)hexyl] acetate
CID 123514197

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate?
The IUPAC name of magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate (CID 173053155) is magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate.
What is the SMILES notation for magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate?
The canonical SMILES for magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate is O=C(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate?
The InChIKey is XQUAZUDWNTYRQU-KPGAZFBQSA-N. The full InChI is InChI=1S/C7H14O8.Mg.2H/c8-1-3(9)5(11)6(12)4(10)2-15-7(13)14;;;/h3-6,8-12H,1-2H2,(H,13,14);;;/q;+2;2*-1/t3-,4-,5-,6-;;;/m1.../s1.
What are the key properties of magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate?
magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate has a molecular weight of 252.50 g/mol, XLogP of -3.04, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate is sourced from PubChem (CID 173053155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).