[nitroso(diphosphono)methyl]phosphonic acid

CH6NO10P3 — CID 57082499

IUPAC[nitroso(diphosphono)methyl]phosphonic acid
SMILESO=NC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/CH6NO10P3/c3-2-1(13(4,5)6,14(7,8)9)15(10,11)12/h(H2,4,5,6)(H2,7,8,9)(H2,10,11,12)
InChIKeyPUPMCCXIBRUJBJ-UHFFFAOYSA-N
MW284.98 g/mol
LogP-1.10
Rot. Bonds4

About [nitroso(diphosphono)methyl]phosphonic acid

[nitroso(diphosphono)methyl]phosphonic acid (PubChem CID 57082499) has the molecular formula CH6NO10P3 and a molecular weight of 284.98 g/mol. Its IUPAC name is [nitroso(diphosphono)methyl]phosphonic acid.

Molecular Properties

Compound Name[nitroso(diphosphono)methyl]phosphonic acid
PubChem CID57082499
Molecular FormulaCH6NO10P3
Molecular Weight284.98 g/mol
Exact Mass284.92
IUPAC Name[nitroso(diphosphono)methyl]phosphonic acid
SMILESO=NC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/CH6NO10P3/c3-2-1(13(4,5)6,14(7,8)9)15(10,11)12/h(H2,4,5,6)(H2,7,8,9)(H2,10,11,12)
InChIKeyPUPMCCXIBRUJBJ-UHFFFAOYSA-N
XLogP-1.10
TPSA202.02 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.98
LogP ≤ 5-1.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triphosphonomethylphosphonic acid
CID 23341767
nickel;phosphoric acid;rhenium
CID 173123463
[dichloro(phosphono)methyl]phosphonic acid
CID 25419
[amino(diphosphono)methyl]phosphonic acid
CID 14009244
1,1,1,2,2,3,4,4,5,5,5-undecafluoropentan-3-ylphosphonic acid
CID 87154822
aminophosphonic acid;rhenium
CID 174387588
nitrosomethanetriol
CID 178078962
hydroxy nitrite;phosphoric acid
CID 175479326
1,1-difluoroethylphosphonic acid
CID 23183684
[dibromo(fluoro)methyl]phosphonic acid
CID 143170448
phosphoric acid;octahydrate
CID 173160172
phosphoric acid;titanium
CID 173034953

Frequently Asked Questions

What is the IUPAC name of [nitroso(diphosphono)methyl]phosphonic acid?
The IUPAC name of [nitroso(diphosphono)methyl]phosphonic acid (CID 57082499) is [nitroso(diphosphono)methyl]phosphonic acid.
What is the SMILES notation for [nitroso(diphosphono)methyl]phosphonic acid?
The canonical SMILES for [nitroso(diphosphono)methyl]phosphonic acid is O=NC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [nitroso(diphosphono)methyl]phosphonic acid?
The InChIKey is PUPMCCXIBRUJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NO10P3/c3-2-1(13(4,5)6,14(7,8)9)15(10,11)12/h(H2,4,5,6)(H2,7,8,9)(H2,10,11,12).
What are the key properties of [nitroso(diphosphono)methyl]phosphonic acid?
[nitroso(diphosphono)methyl]phosphonic acid has a molecular weight of 284.98 g/mol, XLogP of -1.10, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [nitroso(diphosphono)methyl]phosphonic acid is sourced from PubChem (CID 57082499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).