[(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate

C5H10O7P2 — CID 155543282

IUPAC[(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate
SMILESC=C/C=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C5H10O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-4H,1,5H2,(H,9,10)(H2,6,7,8)/b4-3+
InChIKeyZRKGWYWFRSUOOW-ONEGZZNKSA-N
MW244.08 g/mol
LogP0.95
Rot. Bonds6

About [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate

[(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate (PubChem CID 155543282) has the molecular formula C5H10O7P2 and a molecular weight of 244.08 g/mol. Its IUPAC name is [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate
PubChem CID155543282
Molecular FormulaC5H10O7P2
Molecular Weight244.08 g/mol
Exact Mass243.99
IUPAC Name[(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate
SMILESC=C/C=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C5H10O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-4H,1,5H2,(H,9,10)(H2,6,7,8)/b4-3+
InChIKeyZRKGWYWFRSUOOW-ONEGZZNKSA-N
XLogP0.95
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Allyl diphosphate
CID 44363362
[(Z)-but-2-enyl] phosphono hydrogen phosphate
CID 44363535
Diallyl hydrogen phosphate
CID 545426
Crotyl phosphate
CID 6365393
Crotyl diphosphate
CID 15818139
[(Z)-but-2-enyl] dihydrogen phosphate
CID 44363368
[(2E)-5-methylhexa-2,4-dienyl] phosphono hydrogen phosphate
CID 155519591
[(2E,4E)-2-methylhexa-2,4-dienyl] phosphono hydrogen phosphate
CID 155532808
[(2E)-2-methylpenta-2,4-dienyl] phosphono hydrogen phosphate
CID 155537247
But-2-enyl phosphono hydrogen phosphate
CID 54404583
[Hydroxy(methoxy)phosphoryl] methyl prop-2-enyl phosphate
CID 21896411
[(E)-but-2-enyl] dimethyl phosphate
CID 10329919

Frequently Asked Questions

What is the IUPAC name of [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate?
The IUPAC name of [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate (CID 155543282) is [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate.
What is the SMILES notation for [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate?
The canonical SMILES for [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate is C=C/C=C/COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate?
The InChIKey is ZRKGWYWFRSUOOW-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-4H,1,5H2,(H,9,10)(H2,6,7,8)/b4-3+.
What are the key properties of [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate?
[(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate has a molecular weight of 244.08 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate is sourced from PubChem (CID 155543282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).