trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate

C15H24N3Na3O7P2 — CID 11248820

IUPACtrisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate
SMILESC/C(=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])CN=[N+]=[N-].[Na+].[Na+].[Na+]
InChIInChI=1S/C15H27N3O7P2.3Na/c1-13(7-5-9-15(3)12-17-18-16)6-4-8-14(2)10-11-24-27(22,23)25-26(19,20)21;;;/h6,9-10H,4-5,7-8,11-12H2,1-3H3,(H,22,23)(H2,19,20,21);;;/q;3*+1/p-3/b13-6+,14-10+,15-9-;;;
InChIKeyFZXPUBLIEKHMSD-CDKNOXKASA-K
MW489.29 g/mol
LogP-5.96
Rot. Bonds13

About trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate

trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate (PubChem CID 11248820) has the molecular formula C15H24N3Na3O7P2 and a molecular weight of 489.29 g/mol. Its IUPAC name is trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate.

Molecular Properties

Compound Nametrisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate
PubChem CID11248820
Molecular FormulaC15H24N3Na3O7P2
Molecular Weight489.29 g/mol
Exact Mass489.08
IUPAC Nametrisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate
SMILESC/C(=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])CN=[N+]=[N-].[Na+].[Na+].[Na+]
InChIInChI=1S/C15H27N3O7P2.3Na/c1-13(7-5-9-15(3)12-17-18-16)6-4-8-14(2)10-11-24-27(22,23)25-26(19,20)21;;;/h6,9-10H,4-5,7-8,11-12H2,1-3H3,(H,22,23)(H2,19,20,21);;;/q;3*+1/p-3/b13-6+,14-10+,15-9-;;;
InChIKeyFZXPUBLIEKHMSD-CDKNOXKASA-K
XLogP-5.96
TPSA170.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.29
LogP ≤ 5-5.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[oxido-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] phosphate
CID 25245563
[oxido-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] phosphate
CID 134692049
[[(2E,6E)-3,7-dimethylundeca-2,6-dienoxy]-oxidophosphoryl] phosphate
CID 149426615
[hydroxy(oxido)phosphinothioyl] 3,7,11-trimethyldodeca-2,6,10-trienyl phosphate
CID 56947069
[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] phosphate
CID 25245635
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 146014787
disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
CID 11791843
tetrasodium;[[[(E)-4-hydroxy-3-methylbut-2-enoxy]-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 10181081
dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
CID 155290577
phosphono [(2Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 141397714
phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 11132720
[(2E,6Z,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] phosphono hydrogen phosphate
CID 11285785

Frequently Asked Questions

What is the IUPAC name of trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate?
The IUPAC name of trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate (CID 11248820) is trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate.
What is the SMILES notation for trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate?
The canonical SMILES for trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate is C/C(=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])CN=[N+]=[N-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate?
The InChIKey is FZXPUBLIEKHMSD-CDKNOXKASA-K. The full InChI is InChI=1S/C15H27N3O7P2.3Na/c1-13(7-5-9-15(3)12-17-18-16)6-4-8-14(2)10-11-24-27(22,23)25-26(19,20)21;;;/h6,9-10H,4-5,7-8,11-12H2,1-3H3,(H,22,23)(H2,19,20,21);;;/q;3*+1/p-3/b13-6+,14-10+,15-9-;;;.
What are the key properties of trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate?
trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate has a molecular weight of 489.29 g/mol, XLogP of -5.96, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;[[(2E,6E,10Z)-12-azido-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate is sourced from PubChem (CID 11248820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).