1-Oxo-4-hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

C₅H₉O₅PCAS 5301-78-0180.10 g/mol

Open in Covalent MOL file

Alcohol Phosphate

Properties

Molecular formula: C₅H₉O₅P
Molar mass: 180.10 g/mol
Exact mass: 180.0188 Da
Melting point: 207.4–214 °C
logP: 0.15Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Identifiers

CAS number

5301-78-0

SMILES

O=P12OCC(CO)(CO1)CO2

InChIKey

YASRHLDAFCMIPB-UHFFFAOYSA-N

InChI

InChI=1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide
Pentaerythritol, cyclic phosphate (1:1)
Pentaerythritol, cyclic phosphate
4-(Hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Pentaerythritol phosphate alcohol
CN 1137
2,6,7-Trioxaphosphobicyclo[2.2.2]octane-4-methanol 1-oxide
NH 1197
PEPA

Work with 1-Oxo-4-hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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