trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium

C11H12NO6P2+ — CID 56607816

IUPACtrihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium
SMILESO=P(O)(O)/C(=N\c1cccc2ccccc12)[P+](O)(O)O
InChIInChI=1S/C11H11NO6P2/c13-19(14,15)11(20(16,17)18)12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-15H,(H-,16,17,18)/p+1/b12-11-
InChIKeyDONSGCMMDZSSGF-QXMHVHEDSA-O
MW316.17 g/mol
LogP1.74
Rot. Bonds3

About trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium

trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium (PubChem CID 56607816) has the molecular formula C11H12NO6P2+ and a molecular weight of 316.17 g/mol. Its IUPAC name is trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium
PubChem CID56607816
Molecular FormulaC11H12NO6P2+
Molecular Weight316.17 g/mol
Exact Mass316.01
IUPAC Nametrihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium
SMILESO=P(O)(O)/C(=N\c1cccc2ccccc12)[P+](O)(O)O
InChIInChI=1S/C11H11NO6P2/c13-19(14,15)11(20(16,17)18)12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-15H,(H-,16,17,18)/p+1/b12-11-
InChIKeyDONSGCMMDZSSGF-QXMHVHEDSA-O
XLogP1.74
TPSA130.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-Naphthyl Isothiocyanate
CID 11080
alpha-Naphthyl isocyanate
CID 66589
1,5-Naphthalene diisocyanate
CID 18503
Naphthalene, 1-isocyano-
CID 16122
[(Naphthalen-1-ylamino)-phosphonomethyl]phosphonic acid
CID 19382975
N-naphthalen-1-ylmethanimine
CID 15169364
Dioxyaminonaphthalin
CID 20785151
(Naphthalen-1-ylamino)phosphonic acid
CID 66660406
1-Amino-2-naphthylphosphonic acid
CID 132280508
1-Naphthyl isocyanide
CID 6327383
Isoselenocyanatonaphthalene
CID 102253282
(1-Aminonaphthalen-2-yl)methylphosphonic acid
CID 123265884

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium?
The IUPAC name of trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium (CID 56607816) is trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium.
What is the SMILES notation for trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium?
The canonical SMILES for trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium is O=P(O)(O)/C(=N\c1cccc2ccccc12)[P+](O)(O)O.
What is the InChIKey of trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium?
The InChIKey is DONSGCMMDZSSGF-QXMHVHEDSA-O. The full InChI is InChI=1S/C11H11NO6P2/c13-19(14,15)11(20(16,17)18)12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-15H,(H-,16,17,18)/p+1/b12-11-.
What are the key properties of trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium?
trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium has a molecular weight of 316.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(N-naphthalen-1-yl-C-phosphonocarbonimidoyl)phosphanium is sourced from PubChem (CID 56607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).