azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium

C19H46N4O8P3+ — CID 172809683

IUPACazane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium
SMILESCCCCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/P(=O)(O)OP(=O)(O)O[P+](=O)O.N.N.N.N
InChIInChI=1S/C19H33O8P3.4H3N/c1-5-6-10-17(2)11-7-12-18(3)13-8-14-19(4)15-9-16-29(22,23)27-30(24,25)26-28(20)21;;;;/h9,11,13,15-16H,5-8,10,12,14H2,1-4H3,(H2-,20,21,22,23,24,25);4*1H3/p+1/b16-9+,17-11?,18-13+,19-15+;;;;
InChIKeyRUIQOCVGFHETTO-HUBVXNOZSA-O
MW551.52 g/mol
LogP7.71
Rot. Bonds15

About azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium

azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium (PubChem CID 172809683) has the molecular formula C19H46N4O8P3+ and a molecular weight of 551.52 g/mol. Its IUPAC name is azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium.

Molecular Properties

Compound Nameazane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium
PubChem CID172809683
Molecular FormulaC19H46N4O8P3+
Molecular Weight551.52 g/mol
Exact Mass551.25
IUPAC Nameazane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium
SMILESCCCCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/P(=O)(O)OP(=O)(O)O[P+](=O)O.N.N.N.N
InChIInChI=1S/C19H33O8P3.4H3N/c1-5-6-10-17(2)11-7-12-18(3)13-8-14-19(4)15-9-16-29(22,23)27-30(24,25)26-28(20)21;;;;/h9,11,13,15-16H,5-8,10,12,14H2,1-4H3,(H2-,20,21,22,23,24,25);4*1H3/p+1/b16-9+,17-11?,18-13+,19-15+;;;;
InChIKeyRUIQOCVGFHETTO-HUBVXNOZSA-O
XLogP7.71
TPSA270.36 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 57.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate
CID 127049367
[[(2E,6E)-3,7-dimethylundeca-2,6-dienoxy]-oxidophosphoryl] phosphate
CID 149426615
[difluoro-[methoxy-[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphoryl]methyl]phosphonic acid
CID 19854168
3,7,11-trimethyltrideca-2,6,10-trienyl dihydrogen phosphate
CID 161243603
[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
CID 57261758
(E)-5-methylnon-4-enal
CID 101111838
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
3,7,11-trimethylhexadeca-6,10-dien-3-ol
CID 72571502
[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium
CID 173398295
hydroxy-[hydroxy-[hydroxy(methyl)phosphoryl]oxyphosphoryl]oxy-oxophosphanium
CID 118019435
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium?
The IUPAC name of azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium (CID 172809683) is azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium.
What is the SMILES notation for azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium?
The canonical SMILES for azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium is CCCCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/P(=O)(O)OP(=O)(O)O[P+](=O)O.N.N.N.N.
What is the InChIKey of azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium?
The InChIKey is RUIQOCVGFHETTO-HUBVXNOZSA-O. The full InChI is InChI=1S/C19H33O8P3.4H3N/c1-5-6-10-17(2)11-7-12-18(3)13-8-14-19(4)15-9-16-29(22,23)27-30(24,25)26-28(20)21;;;;/h9,11,13,15-16H,5-8,10,12,14H2,1-4H3,(H2-,20,21,22,23,24,25);4*1H3/p+1/b16-9+,17-11?,18-13+,19-15+;;;;.
What are the key properties of azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium?
azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium has a molecular weight of 551.52 g/mol, XLogP of 7.71, 15 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy-[hydroxy-[hydroxy-[(1E,3E,7E)-4,8,12-trimethylhexadeca-1,3,7,11-tetraenyl]phosphoryl]oxyphosphoryl]oxy-oxophosphanium is sourced from PubChem (CID 172809683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).