disodium;(7-oxophenoxazin-3-yl) phosphate

C12H6NNa2O6P — CID 171379159

IUPACdisodium;(7-oxophenoxazin-3-yl) phosphate
SMILESO=c1ccc2nc3ccc(OP(=O)([O-])[O-])cc3oc-2c1.[Na+].[Na+]
InChIInChI=1S/C12H8NO6P.2Na/c14-7-1-3-9-11(5-7)18-12-6-8(19-20(15,16)17)2-4-10(12)13-9;;/h1-6H,(H2,15,16,17);;/q;2*+1/p-2
InChIKeyNPVMWYYSUAJPPN-UHFFFAOYSA-L
MW337.14 g/mol
LogP-5.49
Rot. Bonds2

About disodium;(7-oxophenoxazin-3-yl) phosphate

disodium;(7-oxophenoxazin-3-yl) phosphate (PubChem CID 171379159) has the molecular formula C12H6NNa2O6P and a molecular weight of 337.14 g/mol. Its IUPAC name is disodium;(7-oxophenoxazin-3-yl) phosphate.

Molecular Properties

Compound Namedisodium;(7-oxophenoxazin-3-yl) phosphate
PubChem CID171379159
Molecular FormulaC12H6NNa2O6P
Molecular Weight337.14 g/mol
Exact Mass336.97
IUPAC Namedisodium;(7-oxophenoxazin-3-yl) phosphate
SMILESO=c1ccc2nc3ccc(OP(=O)([O-])[O-])cc3oc-2c1.[Na+].[Na+]
InChIInChI=1S/C12H8NO6P.2Na/c14-7-1-3-9-11(5-7)18-12-6-8(19-20(15,16)17)2-4-10(12)13-9;;/h1-6H,(H2,15,16,17);;/q;2*+1/p-2
InChIKeyNPVMWYYSUAJPPN-UHFFFAOYSA-L
XLogP-5.49
TPSA115.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 5-5.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(6-oxoxanthen-3-yl) phosphate
CID 23576909
7-chlorophenoxazin-3-one
CID 71114704
2-methylpropyl (7-oxophenoxazin-3-yl) carbonate
CID 4126589
7-oxophenoxazine-3-carbaldehyde
CID 18627781
7-[(7-nitro-2,1,3-benzoxadiazol-4-yl)oxy]phenoxazin-3-one
CID 177445127
2-[(7-oxophenoxazin-3-yl)oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 102224211
7-oxophenoxazine-3-carboxamide
CID 67872147
7-(3-amino-3,4,4-trimethylhex-5-enoxy)phenoxazin-3-one
CID 177394677
methyl 3-[(7-oxophenoxazin-3-yl)oxymethyl]benzoate
CID 176797652
7-[1-(7-oxophenoxazin-3-yl)oxy-2-pentoxyethyl]phenoxazin-3-one
CID 91028133
7-(4-hydroxyanilino)phenoxazin-3-one;7-[4-(methoxymethoxy)anilino]phenoxazin-3-one
CID 157403825
[hydroxy-[hydroxy-[(2R)-2-[(1S)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]phosphoryl]oxyphosphoryl] (7-oxophenoxazin-3-yl) hydrogen phosphate
CID 89102160

Frequently Asked Questions

What is the IUPAC name of disodium;(7-oxophenoxazin-3-yl) phosphate?
The IUPAC name of disodium;(7-oxophenoxazin-3-yl) phosphate (CID 171379159) is disodium;(7-oxophenoxazin-3-yl) phosphate.
What is the SMILES notation for disodium;(7-oxophenoxazin-3-yl) phosphate?
The canonical SMILES for disodium;(7-oxophenoxazin-3-yl) phosphate is O=c1ccc2nc3ccc(OP(=O)([O-])[O-])cc3oc-2c1.[Na+].[Na+].
What is the InChIKey of disodium;(7-oxophenoxazin-3-yl) phosphate?
The InChIKey is NPVMWYYSUAJPPN-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8NO6P.2Na/c14-7-1-3-9-11(5-7)18-12-6-8(19-20(15,16)17)2-4-10(12)13-9;;/h1-6H,(H2,15,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;(7-oxophenoxazin-3-yl) phosphate?
disodium;(7-oxophenoxazin-3-yl) phosphate has a molecular weight of 337.14 g/mol, XLogP of -5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(7-oxophenoxazin-3-yl) phosphate is sourced from PubChem (CID 171379159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).