phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate

C15H28O7P2 — CID 123262042

IUPACphosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate
SMILESC=C[C@](C)(CCC=C(C)CCC=C(C)C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/t15-/m1/s1
InChIKeySDXCRASCLFBFND-OAHLLOKOSA-N
MW382.33 g/mol
LogP4.63
Rot. Bonds11

About phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate

phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate (PubChem CID 123262042) has the molecular formula C15H28O7P2 and a molecular weight of 382.33 g/mol. Its IUPAC name is phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate
PubChem CID123262042
Molecular FormulaC15H28O7P2
Molecular Weight382.33 g/mol
Exact Mass382.13
IUPAC Namephosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate
SMILESC=C[C@](C)(CCC=C(C)CCC=C(C)C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/t15-/m1/s1
InChIKeySDXCRASCLFBFND-OAHLLOKOSA-N
XLogP4.63
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
phosphono [(4R,7E)-2,4,12-trimethyltrideca-2,7,11-trien-4-yl] hydrogen phosphate
CID 162821133
[(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
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)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl] phosphono hydrogen phosphate
CID 11320104
phosphono [(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] hydrogen phosphate
CID 5280700
3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl phosphono hydrogen phosphate
CID 57250072
[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl] phosphono hydrogen phosphate
CID 24892764
[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] phosphono hydrogen phosphate
CID 5462210
azane;phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 71299734
azane;phosphono [(2E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 174684808

Frequently Asked Questions

What is the IUPAC name of phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate?
The IUPAC name of phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate (CID 123262042) is phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate.
What is the SMILES notation for phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate?
The canonical SMILES for phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate is C=C[C@](C)(CCC=C(C)CCC=C(C)C)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate?
The InChIKey is SDXCRASCLFBFND-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/t15-/m1/s1.
What are the key properties of phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate?
phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate has a molecular weight of 382.33 g/mol, XLogP of 4.63, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate is sourced from PubChem (CID 123262042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).