trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium

C10H24NO6P2+ — CID 91932711

IUPACtrihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium
SMILESCCCCCCCCC/N=C(\P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C10H23NO6P2/c1-2-3-4-5-6-7-8-9-11-10(18(12,13)14)19(15,16)17/h12-14H,2-9H2,1H3,(H-,15,16,17)/p+1/b11-10-
InChIKeyXVUVWGSIFUMTPO-KHPPLWFESA-O
MW316.25 g/mol
LogP2.01
Rot. Bonds10

About trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium

trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium (PubChem CID 91932711) has the molecular formula C10H24NO6P2+ and a molecular weight of 316.25 g/mol. Its IUPAC name is trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium
PubChem CID91932711
Molecular FormulaC10H24NO6P2+
Molecular Weight316.25 g/mol
Exact Mass316.11
IUPAC Nametrihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium
SMILESCCCCCCCCC/N=C(\P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C10H23NO6P2/c1-2-3-4-5-6-7-8-9-11-10(18(12,13)14)19(15,16)17/h12-14H,2-9H2,1H3,(H-,15,16,17)/p+1/b11-10-
InChIKeyXVUVWGSIFUMTPO-KHPPLWFESA-O
XLogP2.01
TPSA130.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium?
The IUPAC name of trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium (CID 91932711) is trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium.
What is the SMILES notation for trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium?
The canonical SMILES for trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium is CCCCCCCCC/N=C(\P(=O)(O)O)[P+](O)(O)O.
What is the InChIKey of trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium?
The InChIKey is XVUVWGSIFUMTPO-KHPPLWFESA-O. The full InChI is InChI=1S/C10H23NO6P2/c1-2-3-4-5-6-7-8-9-11-10(18(12,13)14)19(15,16)17/h12-14H,2-9H2,1H3,(H-,15,16,17)/p+1/b11-10-.
What are the key properties of trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium?
trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium has a molecular weight of 316.25 g/mol, XLogP of 2.01, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium is sourced from PubChem (CID 91932711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).