2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide

C2H6NO4P — CID 18697532

IUPAC2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
SMILESO=P1(O)OCNCO1
InChIInChI=1S/C2H6NO4P/c4-8(5)6-1-3-2-7-8/h3H,1-2H2,(H,4,5)
InChIKeyHUJSQKUYGRADHC-UHFFFAOYSA-N
MW139.05 g/mol
LogP-0.36
Rot. Bonds

About 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide

2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide (PubChem CID 18697532) has the molecular formula C2H6NO4P and a molecular weight of 139.05 g/mol. Its IUPAC name is 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
PubChem CID18697532
Molecular FormulaC2H6NO4P
Molecular Weight139.05 g/mol
Exact Mass139.00
IUPAC Name2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
SMILESO=P1(O)OCNCO1
InChIInChI=1S/C2H6NO4P/c4-8(5)6-1-3-2-7-8/h3H,1-2H2,(H,4,5)
InChIKeyHUJSQKUYGRADHC-UHFFFAOYSA-N
XLogP-0.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.05
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol
CID 24763921
(1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide
CID 97046817
2,12-dihydroxy-2,12-dioxo-1,7-dioxa-4,10-diaza-2λ5,12λ5-diphosphacyclododecane-6,8-dione
CID 163691066
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626
3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide
CID 20614905
2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide
CID 141425610
2-hydroxy-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tricosafluorotridecylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 101197410
5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosylsulfanyl)-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 101197430

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide?
The IUPAC name of 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide (CID 18697532) is 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide.
What is the SMILES notation for 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide?
The canonical SMILES for 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide is O=P1(O)OCNCO1.
What is the InChIKey of 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide?
The InChIKey is HUJSQKUYGRADHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO4P/c4-8(5)6-1-3-2-7-8/h3H,1-2H2,(H,4,5).
What are the key properties of 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide?
2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide has a molecular weight of 139.05 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide is sourced from PubChem (CID 18697532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).