disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate

C11H9Na2O5P — CID 70120911

IUPACdisodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate
SMILESCc1cc(O)c2ccccc2c1OP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C11H11O5P.2Na/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)16-17(13,14)15;;/h2-6,12H,1H3,(H2,13,14,15);;/q;2*+1/p-2
InChIKeyQRDCLUWFNTYMLS-UHFFFAOYSA-L
MW298.14 g/mol
LogP-4.93
Rot. Bonds2

About disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate

disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate (PubChem CID 70120911) has the molecular formula C11H9Na2O5P and a molecular weight of 298.14 g/mol. Its IUPAC name is disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate.

Molecular Properties

Compound Namedisodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate
PubChem CID70120911
Molecular FormulaC11H9Na2O5P
Molecular Weight298.14 g/mol
Exact Mass298.00
IUPAC Namedisodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate
SMILESCc1cc(O)c2ccccc2c1OP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C11H11O5P.2Na/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)16-17(13,14)15;;/h2-6,12H,1H3,(H2,13,14,15);;/q;2*+1/p-2
InChIKeyQRDCLUWFNTYMLS-UHFFFAOYSA-L
XLogP-4.93
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 5-4.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate?
The IUPAC name of disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate (CID 70120911) is disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate.
What is the SMILES notation for disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate?
The canonical SMILES for disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate is Cc1cc(O)c2ccccc2c1OP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate?
The InChIKey is QRDCLUWFNTYMLS-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11O5P.2Na/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)16-17(13,14)15;;/h2-6,12H,1H3,(H2,13,14,15);;/q;2*+1/p-2.
What are the key properties of disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate?
disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate has a molecular weight of 298.14 g/mol, XLogP of -4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate is sourced from PubChem (CID 70120911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).