[2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol

C5H11O6P — CID 130124961

IUPAC[2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESO=P1(O)OCC(CO)(CO)CO1
InChIInChI=1S/C5H11O6P/c6-1-5(2-7)3-10-12(8,9)11-4-5/h6-7H,1-4H2,(H,8,9)
InChIKeyKFIYKCOAYASSIT-UHFFFAOYSA-N
MW198.11 g/mol
LogP-0.90
Rot. Bonds2

About [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol

[2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (PubChem CID 130124961) has the molecular formula C5H11O6P and a molecular weight of 198.11 g/mol. Its IUPAC name is [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.

Molecular Properties

Compound Name[2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
PubChem CID130124961
Molecular FormulaC5H11O6P
Molecular Weight198.11 g/mol
Exact Mass198.03
IUPAC Name[2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESO=P1(O)OCC(CO)(CO)CO1
InChIInChI=1S/C5H11O6P/c6-1-5(2-7)3-10-12(8,9)11-4-5/h6-7H,1-4H2,(H,8,9)
InChIKeyKFIYKCOAYASSIT-UHFFFAOYSA-N
XLogP-0.90
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
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 [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The IUPAC name of [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (CID 130124961) is [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.
What is the SMILES notation for [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The canonical SMILES for [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is O=P1(O)OCC(CO)(CO)CO1.
What is the InChIKey of [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The InChIKey is KFIYKCOAYASSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O6P/c6-1-5(2-7)3-10-12(8,9)11-4-5/h6-7H,1-4H2,(H,8,9).
What are the key properties of [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
[2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol has a molecular weight of 198.11 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is sourced from PubChem (CID 130124961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).