azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane

C5H15NO6P2+2 — CID 42626599

IUPACazane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane
SMILESC.C[C@@H](C[P+](=O)O[P+](=O)O)C(=O)O.N
InChIInChI=1S/C4H6O6P2.CH4.H3N/c1-3(4(5)6)2-11(7)10-12(8)9;;/h3H,2H2,1H3;1H4;1H3/p+2/t3-;;/m0../s1
InChIKeyAGJSTFOXIUJSST-QTNFYWBSSA-P
MW247.12 g/mol
LogP1.91
Rot. Bonds5

About azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane

azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane (PubChem CID 42626599) has the molecular formula C5H15NO6P2+2 and a molecular weight of 247.12 g/mol. Its IUPAC name is azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane.

Molecular Properties

Compound Nameazane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane
PubChem CID42626599
Molecular FormulaC5H15NO6P2+2
Molecular Weight247.12 g/mol
Exact Mass247.04
IUPAC Nameazane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane
SMILESC.C[C@@H](C[P+](=O)O[P+](=O)O)C(=O)O.N
InChIInChI=1S/C4H6O6P2.CH4.H3N/c1-3(4(5)6)2-11(7)10-12(8)9;;/h3H,2H2,1H3;1H4;1H3/p+2/t3-;;/m0../s1
InChIKeyAGJSTFOXIUJSST-QTNFYWBSSA-P
XLogP1.91
TPSA135.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.91
H-Bond Donors ≤ 53
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 azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane?
The IUPAC name of azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane (CID 42626599) is azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane.
What is the SMILES notation for azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane?
The canonical SMILES for azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane is C.C[C@@H](C[P+](=O)O[P+](=O)O)C(=O)O.N.
What is the InChIKey of azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane?
The InChIKey is AGJSTFOXIUJSST-QTNFYWBSSA-P. The full InChI is InChI=1S/C4H6O6P2.CH4.H3N/c1-3(4(5)6)2-11(7)10-12(8)9;;/h3H,2H2,1H3;1H4;1H3/p+2/t3-;;/m0../s1.
What are the key properties of azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane?
azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane has a molecular weight of 247.12 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane is sourced from PubChem (CID 42626599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).