diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate

C5H17N2O7P — CID 11543311

IUPACdiazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
SMILESO=P([O-])([O-])OC1CC(O)C(CO)O1.[NH4+].[NH4+]
InChIInChI=1S/C5H11O7P.2H3N/c6-2-4-3(7)1-5(11-4)12-13(8,9)10;;/h3-7H,1-2H2,(H2,8,9,10);2*1H3
InChIKeyYFKPWEIXEGYFFN-UHFFFAOYSA-N
MW248.17 g/mol
LogP-1.95
Rot. Bonds3

About diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate

diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate (PubChem CID 11543311) has the molecular formula C5H17N2O7P and a molecular weight of 248.17 g/mol. Its IUPAC name is diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate.

Molecular Properties

Compound Namediazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
PubChem CID11543311
Molecular FormulaC5H17N2O7P
Molecular Weight248.17 g/mol
Exact Mass248.08
IUPAC Namediazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
SMILESO=P([O-])([O-])OC1CC(O)C(CO)O1.[NH4+].[NH4+]
InChIInChI=1S/C5H11O7P.2H3N/c6-2-4-3(7)1-5(11-4)12-13(8,9)10;;/h3-7H,1-2H2,(H2,8,9,10);2*1H3
InChIKeyYFKPWEIXEGYFFN-UHFFFAOYSA-N
XLogP-1.95
TPSA195.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 135041657
bis(cyclohexanamine);[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
CID 137320820
bis(cyclohexanamine);[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
CID 122129567
bis(cyclohexanamine);[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
CID 71308661
[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 20849130
[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 23421196
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 25244208
disodium;[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 67062915
disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 163203406
[(2R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 134692034
[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
CID 69004119
dipotassium;[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 140567999

Frequently Asked Questions

What is the IUPAC name of diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
The IUPAC name of diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate (CID 11543311) is diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate.
What is the SMILES notation for diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
The canonical SMILES for diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate is O=P([O-])([O-])OC1CC(O)C(CO)O1.[NH4+].[NH4+].
What is the InChIKey of diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
The InChIKey is YFKPWEIXEGYFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O7P.2H3N/c6-2-4-3(7)1-5(11-4)12-13(8,9)10;;/h3-7H,1-2H2,(H2,8,9,10);2*1H3.
What are the key properties of diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate has a molecular weight of 248.17 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate is sourced from PubChem (CID 11543311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).