3-phosphorosopropan-1-ol;hydrate

C3H9O3P — CID 88696347

IUPAC3-phosphorosopropan-1-ol;hydrate
SMILESO.O=PCCCO
InChIInChI=1S/C3H7O2P.H2O/c4-2-1-3-6-5;/h4H,1-3H2;1H2
InChIKeyWFLAOKDAXZSLNT-UHFFFAOYSA-N
MW124.08 g/mol
LogP-0.16
Rot. Bonds3

About 3-phosphorosopropan-1-ol;hydrate

3-phosphorosopropan-1-ol;hydrate (PubChem CID 88696347) has the molecular formula C3H9O3P and a molecular weight of 124.08 g/mol. Its IUPAC name is 3-phosphorosopropan-1-ol;hydrate.

Molecular Properties

Compound Name3-phosphorosopropan-1-ol;hydrate
PubChem CID88696347
Molecular FormulaC3H9O3P
Molecular Weight124.08 g/mol
Exact Mass124.03
IUPAC Name3-phosphorosopropan-1-ol;hydrate
SMILESO.O=PCCCO
InChIInChI=1S/C3H7O2P.H2O/c4-2-1-3-6-5;/h4H,1-3H2;1H2
InChIKeyWFLAOKDAXZSLNT-UHFFFAOYSA-N
XLogP-0.16
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.08
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane-1,4-diol;phosphenous acid
CID 174402363
CID 174977066
CID 174977066
4-phosphorosobutanal
CID 175939473
12-phosphorosododecylphosphonic acid
CID 174611370
butane-1,4-diol;bis(carbonochloridic acid)
CID 53446623
amino 4-phosphorosobutanoate
CID 87689252
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
CID 157146691
CID 157146691
butane-1,4-diol;zinc
CID 170696072

Frequently Asked Questions

What is the IUPAC name of 3-phosphorosopropan-1-ol;hydrate?
The IUPAC name of 3-phosphorosopropan-1-ol;hydrate (CID 88696347) is 3-phosphorosopropan-1-ol;hydrate.
What is the SMILES notation for 3-phosphorosopropan-1-ol;hydrate?
The canonical SMILES for 3-phosphorosopropan-1-ol;hydrate is O.O=PCCCO.
What is the InChIKey of 3-phosphorosopropan-1-ol;hydrate?
The InChIKey is WFLAOKDAXZSLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2P.H2O/c4-2-1-3-6-5;/h4H,1-3H2;1H2.
What are the key properties of 3-phosphorosopropan-1-ol;hydrate?
3-phosphorosopropan-1-ol;hydrate has a molecular weight of 124.08 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphorosopropan-1-ol;hydrate is sourced from PubChem (CID 88696347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).