1,3-dihydroxypropan-2-yl phosphate

C3H7O6P-2 — CID 3611397

IUPAC1,3-dihydroxypropan-2-yl phosphate
SMILESO=P([O-])([O-])OC(CO)CO
InChIInChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2
InChIKeyDHCLVCXQIBBOPH-UHFFFAOYSA-L
MW170.06 g/mol
LogP-2.82
Rot. Bonds4

About 1,3-dihydroxypropan-2-yl phosphate

1,3-dihydroxypropan-2-yl phosphate (PubChem CID 3611397) has the molecular formula C3H7O6P-2 and a molecular weight of 170.06 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl phosphate.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl phosphate
PubChem CID3611397
Molecular FormulaC3H7O6P-2
Molecular Weight170.06 g/mol
Exact Mass170.00
IUPAC Name1,3-dihydroxypropan-2-yl phosphate
SMILESO=P([O-])([O-])OC(CO)CO
InChIInChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2
InChIKeyDHCLVCXQIBBOPH-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 1,3-dihydroxypropan-2-yl phosphate?
The IUPAC name of 1,3-dihydroxypropan-2-yl phosphate (CID 3611397) is 1,3-dihydroxypropan-2-yl phosphate.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl phosphate?
The canonical SMILES for 1,3-dihydroxypropan-2-yl phosphate is O=P([O-])([O-])OC(CO)CO.
What is the InChIKey of 1,3-dihydroxypropan-2-yl phosphate?
The InChIKey is DHCLVCXQIBBOPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2.
What are the key properties of 1,3-dihydroxypropan-2-yl phosphate?
1,3-dihydroxypropan-2-yl 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 1,3-dihydroxypropan-2-yl phosphate is sourced from PubChem (CID 3611397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).