prop-2-enyl dihydrogen phosphate

C3H7O4P — CID 14227548

IUPACprop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O
InChIInChI=1S/C3H7O4P/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H2,4,5,6)
InChIKeyDZMOLBFHXFZZBF-UHFFFAOYSA-N
MW138.06 g/mol
LogP0.28
Rot. Bonds3

About prop-2-enyl dihydrogen phosphate

prop-2-enyl dihydrogen phosphate (PubChem CID 14227548) has the molecular formula C3H7O4P and a molecular weight of 138.06 g/mol. Its IUPAC name is prop-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Nameprop-2-enyl dihydrogen phosphate
PubChem CID14227548
Molecular FormulaC3H7O4P
Molecular Weight138.06 g/mol
Exact Mass138.01
IUPAC Nameprop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O
InChIInChI=1S/C3H7O4P/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H2,4,5,6)
InChIKeyDZMOLBFHXFZZBF-UHFFFAOYSA-N
XLogP0.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.06
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 prop-2-enyl dihydrogen phosphate?
The IUPAC name of prop-2-enyl dihydrogen phosphate (CID 14227548) is prop-2-enyl dihydrogen phosphate.
What is the SMILES notation for prop-2-enyl dihydrogen phosphate?
The canonical SMILES for prop-2-enyl dihydrogen phosphate is C=CCOP(=O)(O)O.
What is the InChIKey of prop-2-enyl dihydrogen phosphate?
The InChIKey is DZMOLBFHXFZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4P/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H2,4,5,6).
What are the key properties of prop-2-enyl dihydrogen phosphate?
prop-2-enyl dihydrogen phosphate has a molecular weight of 138.06 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl dihydrogen phosphate is sourced from PubChem (CID 14227548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).