CID 172873209

C6H11MgO10P — CID 172873209

IUPAC—
SMILESO.O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Mg]
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/t2-,4+;;/m0../s1
InChIKeyMVDHKIZDNVWUIS-YCWPWOODSA-N
MW298.42 g/mol
LogP-3.06
Rot. Bonds4

About CID 172873209

CID 172873209 (PubChem CID 172873209) has the molecular formula C6H11MgO10P and a molecular weight of 298.42 g/mol.

Molecular Properties

Compound NameCID 172873209
PubChem CID172873209
Molecular FormulaC6H11MgO10P
Molecular Weight298.42 g/mol
Exact Mass297.99
IUPAC Name—
SMILESO.O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Mg]
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/t2-,4+;;/m0../s1
InChIKeyMVDHKIZDNVWUIS-YCWPWOODSA-N
XLogP-3.06
TPSA185.25 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 5-3.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

l-ascorbic acid-2-phosphate magnesium salt
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[(2R)-2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
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[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
trimagnesium;tris([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate);tris([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate)
CID 172741152
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 165356355
sodium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 54740887
[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-phosphonooxy-2H-furan-2-yl]ethyl] dihydrogen phosphate
CID 101026810
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate
CID 141096159
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
CID 174800617
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
CID 118281516
sodium 2-(1,2-dihydroxyethyl)-5-oxo-3-phosphonooxy-2H-furan-4-olate
CID 101209518
[(2S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfate
CID 90473291

Frequently Asked Questions

What is the IUPAC name of CID 172873209?
The IUPAC name of CID 172873209 (CID 172873209) is not available.
What is the SMILES notation for CID 172873209?
The canonical SMILES for CID 172873209 is O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Mg].
What is the InChIKey of CID 172873209?
The InChIKey is MVDHKIZDNVWUIS-YCWPWOODSA-N. 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/t2-,4+;;/m0../s1.
What are the key properties of CID 172873209?
CID 172873209 has a molecular weight of 298.42 g/mol, XLogP of -3.06, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172873209 is sourced from PubChem (CID 172873209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).