2-phosphorosooxybutane-1,4-diol

C4H9O4P — CID 174758189

IUPAC2-phosphorosooxybutane-1,4-diol
SMILESO=POC(CO)CCO
InChIInChI=1S/C4H9O4P/c5-2-1-4(3-6)8-9-7/h4-6H,1-3H2
InChIKeyGXOWOUBSTCOLGP-UHFFFAOYSA-N
MW152.09 g/mol
LogP-0.05
Rot. Bonds5

About 2-phosphorosooxybutane-1,4-diol

2-phosphorosooxybutane-1,4-diol (PubChem CID 174758189) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is 2-phosphorosooxybutane-1,4-diol.

Molecular Properties

Compound Name2-phosphorosooxybutane-1,4-diol
PubChem CID174758189
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name2-phosphorosooxybutane-1,4-diol
SMILESO=POC(CO)CCO
InChIInChI=1S/C4H9O4P/c5-2-1-4(3-6)8-9-7/h4-6H,1-3H2
InChIKeyGXOWOUBSTCOLGP-UHFFFAOYSA-N
XLogP-0.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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-phosphorosooxybutane-1,4-diol?
The IUPAC name of 2-phosphorosooxybutane-1,4-diol (CID 174758189) is 2-phosphorosooxybutane-1,4-diol.
What is the SMILES notation for 2-phosphorosooxybutane-1,4-diol?
The canonical SMILES for 2-phosphorosooxybutane-1,4-diol is O=POC(CO)CCO.
What is the InChIKey of 2-phosphorosooxybutane-1,4-diol?
The InChIKey is GXOWOUBSTCOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c5-2-1-4(3-6)8-9-7/h4-6H,1-3H2.
What are the key properties of 2-phosphorosooxybutane-1,4-diol?
2-phosphorosooxybutane-1,4-diol has a molecular weight of 152.09 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphorosooxybutane-1,4-diol is sourced from PubChem (CID 174758189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).