chempirical

Puromycin

C22H29N7O5CAS 53-79-2471.52 g/mol

Open in Covalent MOL file
OH2NOHNHONNNNNOHO
AlcoholEtherPrimary amineTertiary amine

Properties

Molecular formula
C22H29N7O5
Molar mass
471.52 g/mol
Exact mass
471.2230 Da
Melting point
175.5–177 °C
logP
0.05Crippen estimate
Polar surface area
164.4 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
8
Stereocentres
S, S, R, R, Sin SMILES atom order

Identifiers

CAS number
53-79-2
SMILES
COc1ccc(C[C@H](N)C(O)=N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1
InChIKey
RXWNCPJZOCPEPQ-NVWDDTSBSA-N
InChI
InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Adenosine, 3′-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-
  • Adenosine, 3′-(α-amino-p-methoxyhydrocinnamamido)-3′-deoxy-N,N-dimethyl-, L-
  • Adenosine, 3′-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-, (S)-
  • 3′-[[(2S)-2-Amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyladenosine
  • 1-MM
  • P 638
  • 3123L
  • Stylomycin
  • Achromycin (purine derivative)
  • β-D-Ribofuranoside, 6-(dimethylamino)-9H-purine-9 3-deoxy-3-[(4-methoxy-L-phenylalanyl)amino]-
  • Stillomycin
  • Achromycin
  • CL 13900

Work with Puromycin

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

Puromycin hydrochloride58-58-296 % similar Aminonucleoside58-60-657 % similar N6-Dimethyladenosine2620-62-456 % similar 3′-Azido-3′-deoxyadenosine58699-62-045 % similar 3′-O-Methyladenosine10300-22-842 % similar Vidarabine5536-17-441 % similar Adenosine58-61-741 % similar N6-Benzoyladenosine4546-55-841 % similar

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

Elsewhere

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