chempirical

Anisomycin

C14H19NO4CAS 22862-76-6265.31 g/mol

Open in Covalent MOL file
ONHOHOO
AlcoholEsterEtherSecondary amine

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
Melting point
140.5 °C
logP
0.50Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
R, S, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
22862-76-6
SMILES
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
InChIKey
YKJYKKNCCRKFSL-RDBSUJKOSA-N
InChI
InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, (2R,3S,4S)-
  • 3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, [2R-(2α,3α,4β)]-
  • 3,4-Pyrrolidinediol, 2-(p-methoxybenzyl)-, 3-acetate, (2R,3S,4S)-
  • (2R,3S,4S)-2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate
  • (2R,3S,4S)-2-(p-Methoxyphenylmethyl)-3-acetoxy-4-hydroxypyrrolidine
  • Flagecidin
  • (-)-Anisomycin
  • Anisomycin, (-)-
  • NSC 76712
  • Wuningmeisu C

Work with Anisomycin

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

Anisyl acetate104-21-247 % similar O-Methyl-D-tyrosine39878-65-445 % similar O-Methyl-L-tyrosine6230-11-145 % similar 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyanoside14581-81-843 % similar 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside2872-65-343 % similar 4-Methoxyphenylacetone122-84-940 % similar 2-Ethylamino-1-(4′-methoxyphenyl)propane14367-46-539 % similar (4-Methoxyphenyl)acetic acid104-01-839 % similar

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

Same formula

(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-5 Boc-L-phenylalanine13734-34-4 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-Carbobenzoxy-dl-norleucine15027-13-1 (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-2 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia