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

C6H8Mg3O14P2 — CID 54680188

IUPACtrimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C6H8O6.3Mg.2H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;2*1-5(2,3)4/h2,5,7-10H,1H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/t2-,5+;;;;;/m0...../s1
InChIKeyHTJNEBVCZXHBNJ-XCTPRCOBSA-H
MW438.98 g/mol
LogP-8.20
Rot. Bonds2

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

trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate (PubChem CID 54680188) has the molecular formula C6H8Mg3O14P2 and a molecular weight of 438.98 g/mol. Its IUPAC name is trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate.

Molecular Properties

Compound Nametrimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
PubChem CID54680188
Molecular FormulaC6H8Mg3O14P2
Molecular Weight438.98 g/mol
Exact Mass437.89
IUPAC Nametrimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C6H8O6.3Mg.2H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;2*1-5(2,3)4/h2,5,7-10H,1H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/t2-,5+;;;;;/m0...../s1
InChIKeyHTJNEBVCZXHBNJ-XCTPRCOBSA-H
XLogP-8.20
TPSA279.72 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 5-8.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate with MolForge

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Related Compounds

L-Ascorbic Acid
CID 54670067
Erythorbic Acid
CID 54675810
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Ascorbate
CID 54679076
Magnesium Ascorbate
CID 54682511
Magnesium Ascorbyl Phosphate
CID 71587428
D-Ascorbic acid
CID 54690394
Sodium Ascorbyl Phosphate
CID 10990876
L-isoascorbic acid
CID 54676315
Ascorbic acid 2-phosphate
CID 54679073
Npc119107
CID 54676536
Sodium calcium ascorbyl phosphate
CID 10925118

Frequently Asked Questions

What is the IUPAC name of trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
The IUPAC name of trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate (CID 54680188) is trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate.
What is the SMILES notation for trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
The canonical SMILES for trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate is O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
The InChIKey is HTJNEBVCZXHBNJ-XCTPRCOBSA-H. The full InChI is InChI=1S/C6H8O6.3Mg.2H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;2*1-5(2,3)4/h2,5,7-10H,1H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/t2-,5+;;;;;/m0...../s1.
What are the key properties of trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate has a molecular weight of 438.98 g/mol, XLogP of -8.20, 2 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate is sourced from PubChem (CID 54680188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).