trihydroxy(hydroxymethyl)phosphanium;urea;chloride

C2H10ClN2O5P — CID 118387771

IUPACtrihydroxy(hydroxymethyl)phosphanium;urea;chloride
SMILESNC(N)=O.OC[P+](O)(O)O.[Cl-]
InChIInChI=1S/CH4N2O.CH6O4P.ClH/c2-1(3)4;2-1-6(3,4)5;/h(H4,2,3,4);2-5H,1H2;1H/q;+1;/p-1
InChIKeyRPJBNFDSJNBDOW-UHFFFAOYSA-M
MW208.54 g/mol
LogP-5.30
Rot. Bonds1

About trihydroxy(hydroxymethyl)phosphanium;urea;chloride

trihydroxy(hydroxymethyl)phosphanium;urea;chloride (PubChem CID 118387771) has the molecular formula C2H10ClN2O5P and a molecular weight of 208.54 g/mol. Its IUPAC name is trihydroxy(hydroxymethyl)phosphanium;urea;chloride.

Molecular Properties

Compound Nametrihydroxy(hydroxymethyl)phosphanium;urea;chloride
PubChem CID118387771
Molecular FormulaC2H10ClN2O5P
Molecular Weight208.54 g/mol
Exact Mass208.00
IUPAC Nametrihydroxy(hydroxymethyl)phosphanium;urea;chloride
SMILESNC(N)=O.OC[P+](O)(O)O.[Cl-]
InChIInChI=1S/CH4N2O.CH6O4P.ClH/c2-1(3)4;2-1-6(3,4)5;/h(H4,2,3,4);2-5H,1H2;1H/q;+1;/p-1
InChIKeyRPJBNFDSJNBDOW-UHFFFAOYSA-M
XLogP-5.30
TPSA150.03 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.54
LogP ≤ 5-5.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy(hydroxymethyl)phosphanium;urea;chloride?
The IUPAC name of trihydroxy(hydroxymethyl)phosphanium;urea;chloride (CID 118387771) is trihydroxy(hydroxymethyl)phosphanium;urea;chloride.
What is the SMILES notation for trihydroxy(hydroxymethyl)phosphanium;urea;chloride?
The canonical SMILES for trihydroxy(hydroxymethyl)phosphanium;urea;chloride is NC(N)=O.OC[P+](O)(O)O.[Cl-].
What is the InChIKey of trihydroxy(hydroxymethyl)phosphanium;urea;chloride?
The InChIKey is RPJBNFDSJNBDOW-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4N2O.CH6O4P.ClH/c2-1(3)4;2-1-6(3,4)5;/h(H4,2,3,4);2-5H,1H2;1H/q;+1;/p-1.
What are the key properties of trihydroxy(hydroxymethyl)phosphanium;urea;chloride?
trihydroxy(hydroxymethyl)phosphanium;urea;chloride has a molecular weight of 208.54 g/mol, XLogP of -5.30, 1 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(hydroxymethyl)phosphanium;urea;chloride is sourced from PubChem (CID 118387771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).