carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium

C5H17N2O9PS — CID 138400233

IUPACcarbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium
SMILESO=S(=O)(O)O.OC[P+](CO)(CO)CO.[H]/N=C(/N)[O-]
InChIInChI=1S/C4H12O4P.CH4N2O.H2O4S/c5-1-9(2-6,3-7)4-8;2-1(3)4;1-5(2,3)4/h5-8H,1-4H2;(H4,2,3,4);(H2,1,2,3,4)/q+1;;/p-1
InChIKeyUMQVFBAWZJWILK-UHFFFAOYSA-M
MW312.24 g/mol
LogP-3.61
Rot. Bonds4

About carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium

carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium (PubChem CID 138400233) has the molecular formula C5H17N2O9PS and a molecular weight of 312.24 g/mol. Its IUPAC name is carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium.

Molecular Properties

Compound Namecarbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium
PubChem CID138400233
Molecular FormulaC5H17N2O9PS
Molecular Weight312.24 g/mol
Exact Mass312.04
IUPAC Namecarbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium
SMILESO=S(=O)(O)O.OC[P+](CO)(CO)CO.[H]/N=C(/N)[O-]
InChIInChI=1S/C4H12O4P.CH4N2O.H2O4S/c5-1-9(2-6,3-7)4-8;2-1(3)4;1-5(2,3)4/h5-8H,1-4H2;(H4,2,3,4);(H2,1,2,3,4)/q+1;;/p-1
InChIKeyUMQVFBAWZJWILK-UHFFFAOYSA-M
XLogP-3.61
TPSA228.45 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 5-3.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium?
The IUPAC name of carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium (CID 138400233) is carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium.
What is the SMILES notation for carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium?
The canonical SMILES for carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium is O=S(=O)(O)O.OC[P+](CO)(CO)CO.[H]/N=C(/N)[O-].
What is the InChIKey of carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium?
The InChIKey is UMQVFBAWZJWILK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12O4P.CH4N2O.H2O4S/c5-1-9(2-6,3-7)4-8;2-1(3)4;1-5(2,3)4/h5-8H,1-4H2;(H4,2,3,4);(H2,1,2,3,4)/q+1;;/p-1.
What are the key properties of carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium?
carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium has a molecular weight of 312.24 g/mol, XLogP of -3.61, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium is sourced from PubChem (CID 138400233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).