chempirical

Streptomycin

C21H39N7O12CAS 57-92-1581.58 g/mol

Open in Covalent MOL file
HNOOOHOHNHNHNH2OHHNNHH2NOOHOOHOHOHO
AcetalAlcoholAldehydeEtherGuanidineSecondary amine

Properties

Molecular formula
C21H39N7O12
Molar mass
581.58 g/mol
Exact mass
581.2657 Da
Melting point
194 °C
logP
-7.74Crippen estimate
Polar surface area
331.4 Ų
H-bond donors / acceptors
14 / 15
Rotatable bonds
9
Stereocentres
S, S, R, R, R, R, S, R, R, S, S, R, S, R, Sin SMILES atom order

Identifiers

CAS number
57-92-1
SMILES
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O
InChIKey
UCSJYZPVAKXKNQ-HZYVHMACSA-N
InChI
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-
  • D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-
  • O-2-Deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-D-streptamine
  • NSC 14083
  • 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-α-glucopyranosyl)-3-formylpentofuranoside
  • Streptomycin A
  • Agrimycin
  • Neodiestreptopab
  • Agrept

Work with Streptomycin

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

Streptomycin sulfate3810-74-090 % similar Dihydrostreptomycin128-46-174 % similar D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-, sulfate (1:?)1425-61-269 % similar Dihydrostreptomycin sulfate5490-27-769 % similar Apramycin37321-09-832 % similar Apramycin41194-16-532 % similar Apramycin sulfate65710-07-831 % similar

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

Elsewhere

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