magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate

C6H9MgO10P — CID 70684777

IUPACmagnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate
SMILESO.O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C6H9O9P.Mg.H2O/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;/h2,4,7-9H,1H2,(H2,11,12,13);;1H2/q;+2;/p-2/t2-,4+;;/m0../s1
InChIKeyFDQIBYYUEFUCSN-YCWPWOODSA-L
MW296.41 g/mol
LogP-4.33
Rot. Bonds4

About magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate

magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate (PubChem CID 70684777) has the molecular formula C6H9MgO10P and a molecular weight of 296.41 g/mol. Its IUPAC name is magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate.

Molecular Properties

Compound Namemagnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate
PubChem CID70684777
Molecular FormulaC6H9MgO10P
Molecular Weight296.41 g/mol
Exact Mass295.98
IUPAC Namemagnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate
SMILESO.O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C6H9O9P.Mg.H2O/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;/h2,4,7-9H,1H2,(H2,11,12,13);;1H2/q;+2;/p-2/t2-,4+;;/m0../s1
InChIKeyFDQIBYYUEFUCSN-YCWPWOODSA-L
XLogP-4.33
TPSA190.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-4.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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
L-Ascorbate-2-Phosphate
CID 54702575

Frequently Asked Questions

What is the IUPAC name of magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate?
The IUPAC name of magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate (CID 70684777) is magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate.
What is the SMILES notation for magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate?
The canonical SMILES for magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate is O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate?
The InChIKey is FDQIBYYUEFUCSN-YCWPWOODSA-L. The full InChI is InChI=1S/C6H9O9P.Mg.H2O/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;/h2,4,7-9H,1H2,(H2,11,12,13);;1H2/q;+2;/p-2/t2-,4+;;/m0../s1.
What are the key properties of magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate?
magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate has a molecular weight of 296.41 g/mol, XLogP of -4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate is sourced from PubChem (CID 70684777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).