Cas no 6835-00-3 (Hydroxystreptomycin)

Hydroxystreptomycin structure
Hydroxystreptomycin structure
Product Name:Hydroxystreptomycin
CAS No:6835-00-3
MF:C21H39N7O13
MW:597.573465585709
CID:970203
PubChem ID:23267
Update Time:2024-02-29

Hydroxystreptomycin Chemical and Physical Properties

Names and Identifiers

    • 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy
    • N,N'-Bis(aminoiminomethyl)-4-O-[2-O-(2-deoxy-2-methylamino-α-L-glucopyranosyl)-3-C-formyl-α-L-lyxofuranosyl]-D-streptamine
    • Hydroxystreptomycin
    • Streptomycin C
    • 5'-Hydroxystreptomycin
    • QXR888I04O
    • 1,1'-[(1R,2R,3S,4R,5R,6S)-4-({2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
    • D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-diamidino-
    • D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-
    • C17571
    • UNII-QXR888I04O
    • O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine
    • AKOS040746907
    • RETICULIN (ANTIBIOTIC)
    • 6835-00-3
    • NS00011546
    • DTXSID20218483
    • D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-
    • 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
    • SCHEMBL35700
    • HYDROXYSTREPTOMYCIN [MI]
    • D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-3-C-FORMYL-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N1,N3-BIS(AMINOIMINOMETHYL)-
    • 1,1'-((1R,2R,3S,4R,5R,6S)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
    • Q27109853
    • CHEBI:24750
    • Inchi: 1S/C21H39N7O13/c1-26-9-13(35)10(32)5(2-29)38-17(9)41-16-18(39-6(3-30)21(16,37)4-31)40-15-8(28-20(24)25)11(33)7(27-19(22)23)12(34)14(15)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(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
    • InChI Key: OFNXOACBUMGOPC-HZYVHMACSA-N
    • SMILES: O([C@H]1[C@@H]([C@@](C=O)([C@H](CO)O1)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)NC)[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1/N=C(/N)\N)O)/N=C(\N)/N)O)O

Computed Properties

  • Exact Mass: 597.26058432g/mol
  • Monoisotopic Mass: 597.26058432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 10
  • Complexity: 957
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 357
  • XLogP3: -8.5
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