hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium

C14H14NO4P2+ — CID 139247816

IUPAChydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium
SMILESO=[P+]([O-])[C@@H](N[C@@H](c1ccccc1)[P+](=O)O)c1ccccc1
InChIInChI=1S/C14H13NO4P2/c16-20(17)13(11-7-3-1-4-8-11)15-14(21(18)19)12-9-5-2-6-10-12/h1-10,13-15H/p+1/t13-,14-/m1/s1
InChIKeyOWSJWUNHFUGJCZ-ZIAGYGMSSA-O
MW322.22 g/mol
LogP2.81
Rot. Bonds6

About hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium

hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium (PubChem CID 139247816) has the molecular formula C14H14NO4P2+ and a molecular weight of 322.22 g/mol. Its IUPAC name is hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium
PubChem CID139247816
Molecular FormulaC14H14NO4P2+
Molecular Weight322.22 g/mol
Exact Mass322.04
IUPAC Namehydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium
SMILESO=[P+]([O-])[C@@H](N[C@@H](c1ccccc1)[P+](=O)O)c1ccccc1
InChIInChI=1S/C14H13NO4P2/c16-20(17)13(11-7-3-1-4-8-11)15-14(21(18)19)12-9-5-2-6-10-12/h1-10,13-15H/p+1/t13-,14-/m1/s1
InChIKeyOWSJWUNHFUGJCZ-ZIAGYGMSSA-O
XLogP2.81
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087
sodium hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 54606769
[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium
CID 7005938
hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
CID 173341084
hydroxy-[[hydroxy(oxo)silyl]oxy-phenylmethyl]-oxophosphanium
CID 70398699
[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium
CID 6331734
[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium
CID 6389571
sodium [(4-ethoxycarbonylanilino)-phenylmethyl]-hydroxy-oxophosphanium
CID 10450026
1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 70579978
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
benzhydryloxy-oxido-oxophosphanium
CID 19805881
2-methoxy-2-phenylacetate
CID 4569340

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium?
The IUPAC name of hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium (CID 139247816) is hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium is O=[P+]([O-])[C@@H](N[C@@H](c1ccccc1)[P+](=O)O)c1ccccc1.
What is the InChIKey of hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium?
The InChIKey is OWSJWUNHFUGJCZ-ZIAGYGMSSA-O. The full InChI is InChI=1S/C14H13NO4P2/c16-20(17)13(11-7-3-1-4-8-11)15-14(21(18)19)12-9-5-2-6-10-12/h1-10,13-15H/p+1/t13-,14-/m1/s1.
What are the key properties of hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium?
hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium has a molecular weight of 322.22 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium is sourced from PubChem (CID 139247816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).