[aminooxy(hydroxy)phosphoryl] methanesulfonate

CH6NO6PS — CID 169100222

IUPAC[aminooxy(hydroxy)phosphoryl] methanesulfonate
SMILESCS(=O)(=O)OP(=O)(O)ON
InChIInChI=1S/CH6NO6PS/c1-10(5,6)8-9(3,4)7-2/h2H2,1H3,(H,3,4)
InChIKeyPRDFVZXPRIEIJU-UHFFFAOYSA-N
MW191.10 g/mol
LogP-1.05
Rot. Bonds3

About [aminooxy(hydroxy)phosphoryl] methanesulfonate

[aminooxy(hydroxy)phosphoryl] methanesulfonate (PubChem CID 169100222) has the molecular formula CH6NO6PS and a molecular weight of 191.10 g/mol. Its IUPAC name is [aminooxy(hydroxy)phosphoryl] methanesulfonate.

Molecular Properties

Compound Name[aminooxy(hydroxy)phosphoryl] methanesulfonate
PubChem CID169100222
Molecular FormulaCH6NO6PS
Molecular Weight191.10 g/mol
Exact Mass190.97
IUPAC Name[aminooxy(hydroxy)phosphoryl] methanesulfonate
SMILESCS(=O)(=O)OP(=O)(O)ON
InChIInChI=1S/CH6NO6PS/c1-10(5,6)8-9(3,4)7-2/h2H2,1H3,(H,3,4)
InChIKeyPRDFVZXPRIEIJU-UHFFFAOYSA-N
XLogP-1.05
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 175254181
methylsulfonyloxy(propan-2-yl)phosphinic acid
CID 87517622
[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 87563497
sodium;amino ethyl hydrogen phosphate;hydride
CID 173405948
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874
amino hexyl hydrogen phosphate
CID 57238608
amino methanesulfonate;hydrochloride
CID 87157730
aminooxyphosphonamidic acid
CID 22629890
potassium;amino dihydrogen phosphate;hydride
CID 174393027
hydroxylamine;phosphoric acid
CID 160630292
amino (carbamoylamino) hydrogen phosphate
CID 174817337

Frequently Asked Questions

What is the IUPAC name of [aminooxy(hydroxy)phosphoryl] methanesulfonate?
The IUPAC name of [aminooxy(hydroxy)phosphoryl] methanesulfonate (CID 169100222) is [aminooxy(hydroxy)phosphoryl] methanesulfonate.
What is the SMILES notation for [aminooxy(hydroxy)phosphoryl] methanesulfonate?
The canonical SMILES for [aminooxy(hydroxy)phosphoryl] methanesulfonate is CS(=O)(=O)OP(=O)(O)ON.
What is the InChIKey of [aminooxy(hydroxy)phosphoryl] methanesulfonate?
The InChIKey is PRDFVZXPRIEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NO6PS/c1-10(5,6)8-9(3,4)7-2/h2H2,1H3,(H,3,4).
What are the key properties of [aminooxy(hydroxy)phosphoryl] methanesulfonate?
[aminooxy(hydroxy)phosphoryl] methanesulfonate has a molecular weight of 191.10 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [aminooxy(hydroxy)phosphoryl] methanesulfonate is sourced from PubChem (CID 169100222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).