2,3-dihydroxypropyl phosphate

C3H7O6P-2 — CID 3707990

IUPAC2,3-dihydroxypropyl 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)/p-2
InChIKeyAWUCVROLDVIAJX-UHFFFAOYSA-L
MW170.06 g/mol
LogP-2.82
Rot. Bonds4

About 2,3-dihydroxypropyl phosphate

2,3-dihydroxypropyl phosphate (PubChem CID 3707990) has the molecular formula C3H7O6P-2 and a molecular weight of 170.06 g/mol. Its IUPAC name is 2,3-dihydroxypropyl phosphate.

Molecular Properties

Compound Name2,3-dihydroxypropyl phosphate
PubChem CID3707990
Molecular FormulaC3H7O6P-2
Molecular Weight170.06 g/mol
Exact Mass170.00
IUPAC Name2,3-dihydroxypropyl 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)/p-2
InChIKeyAWUCVROLDVIAJX-UHFFFAOYSA-L
XLogP-2.82
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 5-2.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 phosphate?
The IUPAC name of 2,3-dihydroxypropyl phosphate (CID 3707990) is 2,3-dihydroxypropyl phosphate.
What is the SMILES notation for 2,3-dihydroxypropyl phosphate?
The canonical SMILES for 2,3-dihydroxypropyl phosphate is O=P([O-])([O-])OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl phosphate?
The InChIKey is AWUCVROLDVIAJX-UHFFFAOYSA-L. 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)/p-2.
What are the key properties of 2,3-dihydroxypropyl phosphate?
2,3-dihydroxypropyl phosphate has a molecular weight of 170.06 g/mol, XLogP of -2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl phosphate is sourced from PubChem (CID 3707990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).