chempirical

Oseltamivir phosphate

C16H31N2O8PCAS 204255-11-8410.40 g/mol

Open in Covalent MOL file
OOONHONH2OPHOHOOH
AlkeneEsterEtherPhosphatePrimary amine

Properties

Molecular formula
C16H31N2O8P
Molar mass
410.40 g/mol
Exact mass
410.1818 Da
Melting point
184–186 °C
logP
1.20Crippen estimate
Polar surface area
171.9 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
7
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
204255-11-8
SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](N=C(C)O)[C@@H](N)C1.O=P(O)(O)O
InChIKey
PGZUMBJQJWIWGJ-ONAKXNSWSA-N
InChI
InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1

Weigh it out

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

Names and synonyms

11 names
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-, phosphate (1:1)
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, [3R-(3α,4β,5α)]-, phosphate (1:1)
  • Ro 64-0796/002
  • Ethyl (3R,4R,5S)-4-N-Acetylamino-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate phosphate (1:1)
  • Tamiflu
  • Oseltamir phosphate
  • (-)-Oseltamivir phosphate
  • Fluvir
  • Saiflu
  • Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate phosphate
  • Oseltamivir ethyl ester

Work with Oseltamivir phosphate

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

Oseltamivir196618-13-088 % similar Ro 64-0802187227-45-866 % similar Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate204254-96-648 % similar Diethyl acetamidomalonate1068-90-233 % similar Ethyl 2-(acetylamino)-2-cyanoacetate4977-62-230 % similar

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

Elsewhere

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