1-hydroxypropan-2-yl dihydrogen phosphate

C3H9O5P — CID 3082077

IUPAC1-hydroxypropan-2-yl dihydrogen phosphate
SMILESCC(CO)OP(=O)(O)O
InChIInChI=1S/C3H9O5P/c1-3(2-4)8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)
InChIKeyZMDUZDDEKLPAHM-UHFFFAOYSA-N
MW156.07 g/mol
LogP-0.52
Rot. Bonds3

About 1-hydroxypropan-2-yl dihydrogen phosphate

1-hydroxypropan-2-yl dihydrogen phosphate (PubChem CID 3082077) has the molecular formula C3H9O5P and a molecular weight of 156.07 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl dihydrogen phosphate
PubChem CID3082077
Molecular FormulaC3H9O5P
Molecular Weight156.07 g/mol
Exact Mass156.02
IUPAC Name1-hydroxypropan-2-yl dihydrogen phosphate
SMILESCC(CO)OP(=O)(O)O
InChIInChI=1S/C3H9O5P/c1-3(2-4)8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)
InChIKeyZMDUZDDEKLPAHM-UHFFFAOYSA-N
XLogP-0.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.07
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl dihydrogen phosphate?
The IUPAC name of 1-hydroxypropan-2-yl dihydrogen phosphate (CID 3082077) is 1-hydroxypropan-2-yl dihydrogen phosphate.
What is the SMILES notation for 1-hydroxypropan-2-yl dihydrogen phosphate?
The canonical SMILES for 1-hydroxypropan-2-yl dihydrogen phosphate is CC(CO)OP(=O)(O)O.
What is the InChIKey of 1-hydroxypropan-2-yl dihydrogen phosphate?
The InChIKey is ZMDUZDDEKLPAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O5P/c1-3(2-4)8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7).
What are the key properties of 1-hydroxypropan-2-yl dihydrogen phosphate?
1-hydroxypropan-2-yl dihydrogen phosphate has a molecular weight of 156.07 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl dihydrogen phosphate is sourced from PubChem (CID 3082077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).