2,3-dihydroxypropyl dihydrogen phosphate

C3H9O6P — CID 754

IUPAC2,3-dihydroxypropyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(O)CO
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChIKeyAWUCVROLDVIAJX-UHFFFAOYSA-N
MW172.07 g/mol
LogP-1.55
Rot. Bonds4

About 2,3-dihydroxypropyl dihydrogen phosphate

2,3-dihydroxypropyl dihydrogen phosphate (PubChem CID 754) has the molecular formula C3H9O6P and a molecular weight of 172.07 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dihydrogen phosphate.

Molecular Properties

Compound Name2,3-dihydroxypropyl dihydrogen phosphate
PubChem CID754
Molecular FormulaC3H9O6P
Molecular Weight172.07 g/mol
Exact Mass172.01
IUPAC Name2,3-dihydroxypropyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(O)CO
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChIKeyAWUCVROLDVIAJX-UHFFFAOYSA-N
XLogP-1.55
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.07
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate?
The IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate (CID 754) is 2,3-dihydroxypropyl dihydrogen phosphate.
What is the SMILES notation for 2,3-dihydroxypropyl dihydrogen phosphate?
The canonical SMILES for 2,3-dihydroxypropyl dihydrogen phosphate is O=P(O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dihydrogen phosphate?
The InChIKey is AWUCVROLDVIAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8).
What are the key properties of 2,3-dihydroxypropyl dihydrogen phosphate?
2,3-dihydroxypropyl dihydrogen phosphate has a molecular weight of 172.07 g/mol, XLogP of -1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dihydrogen phosphate is sourced from PubChem (CID 754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).