1,3-diphosphorosooxypropan-2-ol

C3H6O5P2 — CID 57292886

IUPAC1,3-diphosphorosooxypropan-2-ol
SMILESO=POCC(O)COP=O
InChIInChI=1S/C3H6O5P2/c4-3(1-7-9-5)2-8-10-6/h3-4H,1-2H2
InChIKeyVRYZUNOXECJKEY-UHFFFAOYSA-N
MW184.02 g/mol
LogP0.79
Rot. Bonds6

About 1,3-diphosphorosooxypropan-2-ol

1,3-diphosphorosooxypropan-2-ol (PubChem CID 57292886) has the molecular formula C3H6O5P2 and a molecular weight of 184.02 g/mol. Its IUPAC name is 1,3-diphosphorosooxypropan-2-ol.

Molecular Properties

Compound Name1,3-diphosphorosooxypropan-2-ol
PubChem CID57292886
Molecular FormulaC3H6O5P2
Molecular Weight184.02 g/mol
Exact Mass183.97
IUPAC Name1,3-diphosphorosooxypropan-2-ol
SMILESO=POCC(O)COP=O
InChIInChI=1S/C3H6O5P2/c4-3(1-7-9-5)2-8-10-6/h3-4H,1-2H2
InChIKeyVRYZUNOXECJKEY-UHFFFAOYSA-N
XLogP0.79
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-diphosphorosooxypropan-2-ol?
The IUPAC name of 1,3-diphosphorosooxypropan-2-ol (CID 57292886) is 1,3-diphosphorosooxypropan-2-ol.
What is the SMILES notation for 1,3-diphosphorosooxypropan-2-ol?
The canonical SMILES for 1,3-diphosphorosooxypropan-2-ol is O=POCC(O)COP=O.
What is the InChIKey of 1,3-diphosphorosooxypropan-2-ol?
The InChIKey is VRYZUNOXECJKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5P2/c4-3(1-7-9-5)2-8-10-6/h3-4H,1-2H2.
What are the key properties of 1,3-diphosphorosooxypropan-2-ol?
1,3-diphosphorosooxypropan-2-ol has a molecular weight of 184.02 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphosphorosooxypropan-2-ol is sourced from PubChem (CID 57292886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).