chempirical

D-Pantolactone

C6H10O3CAS 599-04-2130.14 g/mol

Open in Covalent MOL file
OOOH
AlcoholEsterLactone

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Melting point
92 °C
logP
-0.07Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
599-04-2
SMILES
CC1(C)COC(=O)[C@@H]1O
InChIKey
SERHXTVXHNVDKA-BYPYZUCNSA-N
InChI
InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1

Weigh it out

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

Names and synonyms

22 names · show all
  • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3R)-
  • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, D-(-)-
  • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (R)-
  • (3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone
  • D-(-)-Pantolactone
  • (-)-Pantolactone
  • (R)-α-Hydroxy-β,β-dimethyl-γ-butyrolactone
  • Pantothenic lactone
  • Pantoyl lactone
  • D-(-)-α-Hydroxy-β,β-dimethyl-γ-butyrolactone
  • Pantolactone
  • (R)-(-)-Pantolactone
  • D-(-)-Pantoyl lactone
  • (R)-Pantolactone
  • (-)-Pantoyl lactone
  • D-Pantoyl lactone
  • (-)-(R)-Pantolactone
  • (-)-2-Hydroxy-3,3-dimethyl-γ-butyrolactone
  • (R)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
  • (3R)-Tetrahydro-3-hydroxy-4,4-dimethylfuran-2-one
  • l-Pantoyl lactone
  • (3R)-3-Hydroxy-4,4-dimethyloxolan-2-one

Work with D-Pantolactone

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

Similar compounds

(+)-Pantolactone5405-40-3100 % similar 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate6846-50-045 % similar (-)-Diethyl tartrate13811-71-736 % similar 6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione67911-21-135 % similar Ethyl lactate687-47-834 % similar Ethyl lactate97-64-334 % similar (+)-Pantothenic acid79-83-434 % similar α-Hydroxy-γ-butyrolactone19444-84-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0

Elsewhere

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