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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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).