chempirical

Dihydrostreptomycin

C21H41N7O12CAS 128-46-1583.60 g/mol

Open in Covalent MOL file
HNOOOHOHNHNHNH2OHHNNHH2NOOHHOOHOHOHO
AcetalAlcoholEtherGuanidineSecondary amine

Properties

Molecular formula
C21H41N7O12
Molar mass
583.60 g/mol
Exact mass
583.2813 Da
Melting point
above 300 °C
logP
-7.95Crippen estimate
Polar surface area
334.6 Ų
H-bond donors / acceptors
15 / 15
Rotatable bonds
9
Stereocentres
S, S, R, R, R, R, S, R, R, S, S, R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
128-46-1
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)CO)O[C@@H](CO)[C@H](O)[C@H]1O
InChIKey
ASXBYYWOLISCLQ-HZYVHMACSA-N
InChI
InChI=1S/C21H41N7O12/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/h5-18,26,29-36H,3-4H2,1-2H3,(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

10 names
  • 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)-
  • Streptomycin, dihydro-
  • D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-
  • Streptomycin, deoxydihydrohydroxy-
  • 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)-D-streptamine
  • DHSM
  • 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl-5-deoxy-2-O-(2-deoxy-2-methylamino-α-L-glucopyranosyl)-3-hydroxymethyl-β-L-lyxo-pentanofuranoside
  • DST
  • Abiocine
  • Vibriomycin

Work with Dihydrostreptomycin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dihydrostreptomycin sulfate5490-27-7Salt 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:?)1425-61-2Salt

Similar compounds

Streptomycin57-92-174 % similar Streptomycin sulfate3810-74-068 % similar Apramycin37321-09-833 % similar Apramycin41194-16-533 % similar Methyl-2-acetamido-2-deoxy-D-glucopyranoside6082-04-830 % similar Apramycin sulfate65710-07-830 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook