bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate

C4H12O9P2 — CID 174831859

IUPACbis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate
SMILESO.O=P1(O)OCCO1.O=P1(O)OCCO1
InChIInChI=1S/2C2H5O4P.H2O/c2*3-7(4)5-1-2-6-7;/h2*1-2H2,(H,3,4);1H2
InChIKeyRHEJMWMAGHEGDW-UHFFFAOYSA-N
MW266.08 g/mol
LogP-0.56
Rot. Bonds

About bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate

bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate (PubChem CID 174831859) has the molecular formula C4H12O9P2 and a molecular weight of 266.08 g/mol. Its IUPAC name is bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate.

Molecular Properties

Compound Namebis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate
PubChem CID174831859
Molecular FormulaC4H12O9P2
Molecular Weight266.08 g/mol
Exact Mass266.00
IUPAC Namebis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate
SMILESO.O=P1(O)OCCO1.O=P1(O)OCCO1
InChIInChI=1S/2C2H5O4P.H2O/c2*3-7(4)5-1-2-6-7;/h2*1-2H2,(H,3,4);1H2
InChIKeyRHEJMWMAGHEGDW-UHFFFAOYSA-N
XLogP-0.56
TPSA143.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 5-0.56
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 bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate?
The IUPAC name of bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate (CID 174831859) is bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate.
What is the SMILES notation for bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate?
The canonical SMILES for bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate is O.O=P1(O)OCCO1.O=P1(O)OCCO1.
What is the InChIKey of bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate?
The InChIKey is RHEJMWMAGHEGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O4P.H2O/c2*3-7(4)5-1-2-6-7;/h2*1-2H2,(H,3,4);1H2.
What are the key properties of bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate?
bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate has a molecular weight of 266.08 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide);hydrate is sourced from PubChem (CID 174831859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).