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Dihydrostreptomycin

PubChem CID: 439369

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Compound Synonyms dihydrostreptomycin, 128-46-1, Abiocine, Vibriomycin, Dihydrostreptomycine, DHMS, Streptomycin, dihydro-, Dihidroestreptomicina, Diidrostreptomicina, Dihydrostreptomycinum, UNII-P2I6R8W6UA, Diidrostreptomicina [DCIT], P2I6R8W6UA, Dihydrostreptomycin [INN:BAN], CHEBI:38291, Dihydrostreptomycine [INN-French], Dihydrostreptomycinum [INN-Latin], Dihidroestreptomicina [INN-Spanish], EINECS 204-888-2, Dihydrostreptomycin (INN), 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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, DIHYDROSTREPTOMYCIN [MI], N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine, DTXSID0022937, DIHYDROSTREPTOMYCIN [INN], DIHYDROSTREPTOMYCIN [WHO-DD], 1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine, 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl-5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-hydroxymethyl-beta-L-lyxo-pentanofuranoside, Dihydrostreptomycine (INN-French), Dihydrostreptomycinum (INN-Latin), Dihidroestreptomicina (INN-Spanish), 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-hydroxy-4-(hydroxymethyl)-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine, D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-(HYDROXYMETHYL)-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N1,N3-BIS(AMINOIMINOMETHYL)-, N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-a-L-glucopyranosyl]-3-C-(hydroxymethyl)-a-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine, Streptamine, O-beta-D-mannopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-5-deoxy-O-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-diamidino-, D-, Abiocine, DHSM, DST, 1,1'-((1R,2R,3S,4R,5R,6S)-4-((5-deoxy-2-O-(2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl)-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine, 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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl)guanidine, N,N'''-((1R,2R,3S,4R,5R,6S)-4-((5-deoxy-2-O-(2-deoxy-2-(methylamino)-a-L-glucopyranosyl)-3-C-(hydroxymethyl)-a-L-lyxofuranosyl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine, N,N'''-((1R,2R,3S,4R,5R,6S)-4-((5-deoxy-2-O-(2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl)-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine, N,N'''-((1R,2R,3S,4R,5R,6S)-4-((5-deoxy-2-O-(2-deoxy-2-(methylamino)-I+--L-glucopyranosyl)-3-C-(hydroxymethyl)-I+--L-lyxofuranosyl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine, N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-I+--L-glucopyranosyl]-3-C-(hydroxymethyl)-I+--L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine, NSC402956, SCHEMBL139048, DTXCID702937, CHEMBL1950576, GTPL12163, S01AA15, ASXBYYWOLISCLQ-HZYVHMACSA-N, AKOS030526158, AD29660, DB11512, Dihydrostreptomycin 1000 microg/mL in Water, NS00098769, C01023, D07840, EN300-19737772, Q3707637, Instituto Farmacologica Brand of Dihydrostreptomycin Sulfate, 1-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine, 204-888-2, 71R, D-Streptamine, O-2-deoxy-2-(methylamino)-.alpha.-L-glucopyranosyl-(1->2)-O-5-deoxy-3-C-(hydroxymethyl)-.alpha.-L-lyxofuranosyl-(1->4)-N,N'-bis(aminoiminomethyl), D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-ALPHA-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-(HYDROXYMETHYL)-ALPHA-L-LYXOFURANOSYL-(1->4)-N1,N3-BIS(AMINOIMINOMETHYL)-, N-[(1R,2R,3S,4R,5R,6S)-3-carbamimidamido-4-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-2,5,6-trihydroxycyclohexyl]guanidine, O-2-Deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1fwdarw2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1fwdarw4)-N1,N3-bis(aminoiminomethyl)-D-streptamine
Topological Polar Surface Area 340.0
Hydrogen Bond Donor Count 13.0
Heavy Atom Count 40.0
Isotope Atom Count 0.0
Molecular Complexity 911.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 15.0
Uniprot Id n.a.
Iupac Name 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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
Prediction Hob 0.0
Xlogp -8.2
Molecular Formula C21H41N7O12
Prediction Swissadme 0.0
Inchi Key ASXBYYWOLISCLQ-HZYVHMACSA-N
Fcsp3 0.9047619047619048
Logs -0.989
Rotatable Bond Count 9.0
Logd -1.606
Compound Name Dihydrostreptomycin
Prediction Hob Swissadme 0.0
Exact Mass 583.281
Formal Charge 0.0
Monoisotopic Mass 583.281
Hydrogen Bond Acceptor Count 15.0
Molecular Weight 583.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 15.0
Total Bond Stereocenter Count 0.0
Esol 1.904504799999998
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
Smiles C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Pinus Densiflora (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Pinus Massoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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