guanidine;hydroxymethyl dihydrogen phosphate

C2H10N3O5P — CID 87849395

IUPACguanidine;hydroxymethyl dihydrogen phosphate
SMILESO=P(O)(O)OCO.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH5O5P/c2-1(3)4;2-1-6-7(3,4)5/h(H5,2,3,4);2H,1H2,(H2,3,4,5)
InChIKeyVXKJOTOQGBIWFD-UHFFFAOYSA-N
MW187.09 g/mol
LogP-2.12
Rot. Bonds2

About guanidine;hydroxymethyl dihydrogen phosphate

guanidine;hydroxymethyl dihydrogen phosphate (PubChem CID 87849395) has the molecular formula C2H10N3O5P and a molecular weight of 187.09 g/mol. Its IUPAC name is guanidine;hydroxymethyl dihydrogen phosphate.

Molecular Properties

Compound Nameguanidine;hydroxymethyl dihydrogen phosphate
PubChem CID87849395
Molecular FormulaC2H10N3O5P
Molecular Weight187.09 g/mol
Exact Mass187.04
IUPAC Nameguanidine;hydroxymethyl dihydrogen phosphate
SMILESO=P(O)(O)OCO.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH5O5P/c2-1(3)4;2-1-6-7(3,4)5/h(H5,2,3,4);2H,1H2,(H2,3,4,5)
InChIKeyVXKJOTOQGBIWFD-UHFFFAOYSA-N
XLogP-2.12
TPSA162.88 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500187.09
LogP ≤ 5-2.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine
CID 88828638
bis(hydroxymethyl) hydrogen phosphate
CID 18504364
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
propyl dihydrogen phosphate;urea
CID 88818408
bis(hydroxymethoxy)phosphoryl bis(hydroxymethyl) phosphate
CID 91170796
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
(2-amino-2-hydroxyiminoethyl) dihydrogen phosphate
CID 71402250

Frequently Asked Questions

What is the IUPAC name of guanidine;hydroxymethyl dihydrogen phosphate?
The IUPAC name of guanidine;hydroxymethyl dihydrogen phosphate (CID 87849395) is guanidine;hydroxymethyl dihydrogen phosphate.
What is the SMILES notation for guanidine;hydroxymethyl dihydrogen phosphate?
The canonical SMILES for guanidine;hydroxymethyl dihydrogen phosphate is O=P(O)(O)OCO.[H]N=C(N)N.
What is the InChIKey of guanidine;hydroxymethyl dihydrogen phosphate?
The InChIKey is VXKJOTOQGBIWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.CH5O5P/c2-1(3)4;2-1-6-7(3,4)5/h(H5,2,3,4);2H,1H2,(H2,3,4,5).
What are the key properties of guanidine;hydroxymethyl dihydrogen phosphate?
guanidine;hydroxymethyl dihydrogen phosphate has a molecular weight of 187.09 g/mol, XLogP of -2.12, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;hydroxymethyl dihydrogen phosphate is sourced from PubChem (CID 87849395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).