5-hydroxypent-2-enyl phosphono hydrogen phosphate

C5H12O8P2 — CID 76540498

IUPAC5-hydroxypent-2-enyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OCC=CCCO
InChIInChI=1S/C5H12O8P2/c6-4-2-1-3-5-12-15(10,11)13-14(7,8)9/h1,3,6H,2,4-5H2,(H,10,11)(H2,7,8,9)
InChIKeyFONCWGCBJFAUEG-UHFFFAOYSA-N
MW262.09 g/mol
LogP0.15
Rot. Bonds7

About 5-hydroxypent-2-enyl phosphono hydrogen phosphate

5-hydroxypent-2-enyl phosphono hydrogen phosphate (PubChem CID 76540498) has the molecular formula C5H12O8P2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 5-hydroxypent-2-enyl phosphono hydrogen phosphate.

Molecular Properties

Compound Name5-hydroxypent-2-enyl phosphono hydrogen phosphate
PubChem CID76540498
Molecular FormulaC5H12O8P2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name5-hydroxypent-2-enyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OCC=CCCO
InChIInChI=1S/C5H12O8P2/c6-4-2-1-3-5-12-15(10,11)13-14(7,8)9/h1,3,6H,2,4-5H2,(H,10,11)(H2,7,8,9)
InChIKeyFONCWGCBJFAUEG-UHFFFAOYSA-N
XLogP0.15
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypent-2-enyl phosphono hydrogen phosphate?
The IUPAC name of 5-hydroxypent-2-enyl phosphono hydrogen phosphate (CID 76540498) is 5-hydroxypent-2-enyl phosphono hydrogen phosphate.
What is the SMILES notation for 5-hydroxypent-2-enyl phosphono hydrogen phosphate?
The canonical SMILES for 5-hydroxypent-2-enyl phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OCC=CCCO.
What is the InChIKey of 5-hydroxypent-2-enyl phosphono hydrogen phosphate?
The InChIKey is FONCWGCBJFAUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O8P2/c6-4-2-1-3-5-12-15(10,11)13-14(7,8)9/h1,3,6H,2,4-5H2,(H,10,11)(H2,7,8,9).
What are the key properties of 5-hydroxypent-2-enyl phosphono hydrogen phosphate?
5-hydroxypent-2-enyl phosphono hydrogen phosphate has a molecular weight of 262.09 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypent-2-enyl phosphono hydrogen phosphate is sourced from PubChem (CID 76540498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).