trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride

C6H11Na3O6 — CID 173003936

IUPACtrisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O6.3Na.3H/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;;;/h2,5,7-10H,1H2;;;;;;/q;3*+1;3*-1/t2-,5+;;;;;;/m0....../s1
InChIKeyVCHMIALYVUAPSD-CXJVLALHSA-N
MW248.12 g/mol
LogP-10.06
Rot. Bonds2

About trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride

trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride (PubChem CID 173003936) has the molecular formula C6H11Na3O6 and a molecular weight of 248.12 g/mol. Its IUPAC name is trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride.

Molecular Properties

Compound Nametrisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
PubChem CID173003936
Molecular FormulaC6H11Na3O6
Molecular Weight248.12 g/mol
Exact Mass248.02
IUPAC Nametrisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O6.3Na.3H/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;;;/h2,5,7-10H,1H2;;;;;;/q;3*+1;3*-1/t2-,5+;;;;;;/m0....../s1
InChIKeyVCHMIALYVUAPSD-CXJVLALHSA-N
XLogP-10.06
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 5-10.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
CID 175868978
CID 175868978
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
CID 174800617
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533
CID 68731933
CID 68731933
tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
CID 173001729
dibismuth;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;trisulfate
CID 173193760
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanedisulfonic acid
CID 174954418
1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 175816222

Frequently Asked Questions

What is the IUPAC name of trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride?
The IUPAC name of trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride (CID 173003936) is trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride.
What is the SMILES notation for trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride?
The canonical SMILES for trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride is O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride?
The InChIKey is VCHMIALYVUAPSD-CXJVLALHSA-N. The full InChI is InChI=1S/C6H8O6.3Na.3H/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;;;/h2,5,7-10H,1H2;;;;;;/q;3*+1;3*-1/t2-,5+;;;;;;/m0....../s1.
What are the key properties of trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride?
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride has a molecular weight of 248.12 g/mol, XLogP of -10.06, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride is sourced from PubChem (CID 173003936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).