CAS 52813-63-5|CAS 32780-06-6|(5R)-5-(hydroxymethyl)oxolan-2-one|(S)-(+)-gamma-(Hydroxymethyl)-gamma-butyrolactone|(5R)-5-(hydroxymethyl)oxolan-2-one|(5S)-(+)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one...

General Information

Structure

Molecular Formula

C₅H₈O₃

Molecular Mass

116.11522

Exact Mass

116.04734412

Charge

InChI

InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m1/s1

InChIKey

NSISJFFVIMQBRN-SCSAIBSYSA-N

Canonic Smiles

OC[C@H]1CCC(=O)O1

Isomeric Smiles

O1C(=O)CC[C@@H]1CO

Calculated Properties

JChem

Acid pKa

14.652552

H Acceptors

H Donor

LogD (pH = 5.5)

-0.48078364

LogD (pH = 7.4)

-0.48078367

Log P

-0.48078364

Molar Refractivity

26.2706

Polarizability

10.689573

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(5R)-5-(hydroxymethyl)oxolan-2-one

Synonyms

(S)-(+)-gamma-(Hydroxymethyl)-gamma-butyrolactone(5S)-(+)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one(R)-γ-Hydroxymethyl-γ-butyrolactone(R)-γ-羟甲基-γ-丁内酯(R)-(-)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone(R)-5-羟甲基-2-氧代四氢呋喃(R)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone(R)-5-Hydroxymethyl-2-oxotetrahydrofuran(R)-4,5-二氢-5-羟甲基-2(3H)-呋喃酮(R)-(-)-二氢-5-(羟基甲基)-2(3H)-呋喃酮

IUPAC name

(5R)-5-(hydroxymethyl)oxolan-2-one

Names and Identifiers

Registration numbers

PubChem CID

Beilstein Number

MDL Number

CAS Number