2-(hydroxymethyl)guanidine;phosphoric acid

C2H10N3O5P — CID 127256429

IUPAC2-(hydroxymethyl)guanidine;phosphoric acid
SMILESNC(N)=NCO.O=P(O)(O)O
InChIInChI=1S/C2H7N3O.H3O4P/c3-2(4)5-1-6;1-5(2,3)4/h6H,1H2,(H4,3,4,5);(H3,1,2,3,4)
InChIKeyKQGAVMJZYMWOPH-UHFFFAOYSA-N
MW187.09 g/mol
LogP-2.72
Rot. Bonds1

About 2-(hydroxymethyl)guanidine;phosphoric acid

2-(hydroxymethyl)guanidine;phosphoric acid (PubChem CID 127256429) has the molecular formula C2H10N3O5P and a molecular weight of 187.09 g/mol. Its IUPAC name is 2-(hydroxymethyl)guanidine;phosphoric acid.

Molecular Properties

Compound Name2-(hydroxymethyl)guanidine;phosphoric acid
PubChem CID127256429
Molecular FormulaC2H10N3O5P
Molecular Weight187.09 g/mol
Exact Mass187.04
IUPAC Name2-(hydroxymethyl)guanidine;phosphoric acid
SMILESNC(N)=NCO.O=P(O)(O)O
InChIInChI=1S/C2H7N3O.H3O4P/c3-2(4)5-1-6;1-5(2,3)4/h6H,1H2,(H4,3,4,5);(H3,1,2,3,4)
InChIKeyKQGAVMJZYMWOPH-UHFFFAOYSA-N
XLogP-2.72
TPSA162.39 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500187.09
LogP ≤ 5-2.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(diaminomethylideneamino)ethoxy-methylphosphinic acid
CID 3327890
nickel;phosphoric acid;rhenium
CID 173123463
hydroxylamine;phosphoric acid
CID 160630292
azane;2-(diaminomethylideneamino)acetic acid
CID 174297206
2-(diaminomethylideneamino)acetic acid;hydrate
CID 141191811
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
azane;ethane-1,2-diol;phosphoric acid
CID 174794036
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride
CID 174414439
2-aminoethanol;phosphane;phosphoric acid
CID 174583262
2-aminoethanol;phosphoric acid;zinc
CID 126749483
[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid
CID 71563402
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
CID 174852963

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)guanidine;phosphoric acid?
The IUPAC name of 2-(hydroxymethyl)guanidine;phosphoric acid (CID 127256429) is 2-(hydroxymethyl)guanidine;phosphoric acid.
What is the SMILES notation for 2-(hydroxymethyl)guanidine;phosphoric acid?
The canonical SMILES for 2-(hydroxymethyl)guanidine;phosphoric acid is NC(N)=NCO.O=P(O)(O)O.
What is the InChIKey of 2-(hydroxymethyl)guanidine;phosphoric acid?
The InChIKey is KQGAVMJZYMWOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O.H3O4P/c3-2(4)5-1-6;1-5(2,3)4/h6H,1H2,(H4,3,4,5);(H3,1,2,3,4).
What are the key properties of 2-(hydroxymethyl)guanidine;phosphoric acid?
2-(hydroxymethyl)guanidine;phosphoric acid has a molecular weight of 187.09 g/mol, XLogP of -2.72, 1 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)guanidine;phosphoric acid is sourced from PubChem (CID 127256429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).