tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate

C8H44Mn3N4O12P4+4 — CID 6395069

IUPACtetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
SMILESC[P+](O)(O)CN.C[P+](O)(O)CN.C[P+](O)(O)CN.C[P+](O)(O)CN.O.O.O.O.[Mn].[Mn].[Mn]
InChIInChI=1S/4C2H9NO2P.3Mn.4H2O/c4*1-6(4,5)2-3;;;;;;;/h4*4-5H,2-3H2,1H3;;;;4*1H2/q4*+1;;;;;;;
InChIKeyFPQUPTWETJLFAU-UHFFFAOYSA-N
MW677.17 g/mol
LogP-5.85
Rot. Bonds4

About tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate

tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate (PubChem CID 6395069) has the molecular formula C8H44Mn3N4O12P4+4 and a molecular weight of 677.17 g/mol. Its IUPAC name is tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate.

Molecular Properties

Compound Nametetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
PubChem CID6395069
Molecular FormulaC8H44Mn3N4O12P4+4
Molecular Weight677.17 g/mol
Exact Mass677.00
IUPAC Nametetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
SMILESC[P+](O)(O)CN.C[P+](O)(O)CN.C[P+](O)(O)CN.C[P+](O)(O)CN.O.O.O.O.[Mn].[Mn].[Mn]
InChIInChI=1S/4C2H9NO2P.3Mn.4H2O/c4*1-6(4,5)2-3;;;;;;;/h4*4-5H,2-3H2,1H3;;;;4*1H2/q4*+1;;;;;;;
InChIKeyFPQUPTWETJLFAU-UHFFFAOYSA-N
XLogP-5.85
TPSA391.92 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500677.17
LogP ≤ 5-5.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate?
The IUPAC name of tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate (CID 6395069) is tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate.
What is the SMILES notation for tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate?
The canonical SMILES for tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate is C[P+](O)(O)CN.C[P+](O)(O)CN.C[P+](O)(O)CN.C[P+](O)(O)CN.O.O.O.O.[Mn].[Mn].[Mn].
What is the InChIKey of tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate?
The InChIKey is FPQUPTWETJLFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H9NO2P.3Mn.4H2O/c4*1-6(4,5)2-3;;;;;;;/h4*4-5H,2-3H2,1H3;;;;4*1H2/q4*+1;;;;;;;.
What are the key properties of tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate?
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate has a molecular weight of 677.17 g/mol, XLogP of -5.85, 4 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate is sourced from PubChem (CID 6395069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).