chempirical

1,3-Dipropanoylglycerol

C9H16O5CAS 18373-31-4204.22 g/mol

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AlcoholEster

Properties

Molecular formula
C9H16O5
Molar mass
204.22 g/mol
Exact mass
204.0998 Da
logP
0.25Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Identifiers

CAS number
18373-31-4
SMILES
CCC(=O)OCC(O)COC(=O)CC
InChIKey
BQNHSMJWMBBIEQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O5/c1-3-8(11)13-5-7(10)6-14-9(12)4-2/h7,10H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1,2,3-Propanetriol, 1,3-dipropanoate
  • Propionin, 1,3-di-
  • 1,3-Dipropanoylglycerin
  • Glycerol 1,3-dipropionate
  • 1,3-Dipropionin
  • 1,3-Bis-propionyloxy-propan-2-ol

Work with 1,3-Dipropanoylglycerol

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

Isobutyl propionate540-42-161 % similar (S)-3-Hydroxy-γ-butyrolactone7331-52-459 % similar Tripropionin139-45-759 % similar Propyl propanoate106-36-554 % similar Ethyl propionate105-37-352 % similar Butyl propionate590-01-250 % similar Tetrahydrofurfuryl propionate637-65-050 % similar 1-Monostearin123-94-449 % similar

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

Same formula

Diethyl 3-hydroxyglutarate32328-03-3 Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside4099-85-8

Elsewhere

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