162642252
  -OEChem-04292400212D

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M  END
> <PUBCHEM_COMPOUND_CID>
162642252

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1510

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
31

> <PUBCHEM_CACTVS_HBOND_DONOR>
26

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
20

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/vgAHAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAHgAQCAAACDzxgAcACABABgAIAAgQgAAAAAAAAAAAAIGAAAATEBYAgAAjQAAHMAAHAAH6fA1AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5,6-trihydroxy-hexanal;hexahydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4S,5R)-2-amino-4-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,5,6-trihydroxyhexanal;hexahydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-2-amino-4-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-amino-5-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-amino-5-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-amino-5-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-amino-5-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal;hexahydrochloride

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal;hexahydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4S,5R)-2-azanyl-4-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-3,5,6-tris(oxidanyl)hexanal;hexahydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,5,6-trihydroxy-hexanal;hexahydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C36H68N6O25.6ClH/c37-8(1-43)20(51)27(9(50)2-44)63-33-16(39)23(54)29(11(4-46)59-33)65-35-18(41)25(56)31(13(6-48)61-35)67-36-19(42)26(57)30(14(7-49)62-36)66-34-17(40)24(55)28(12(5-47)60-34)64-32-15(38)22(53)21(52)10(3-45)58-32;;;;;;/h1,8-36,44-57H,2-7,37-42H2;6*1H/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-;;;;;;/m0....../s1

> <PUBCHEM_IUPAC_INCHIKEY>
YNVCXPBWPOREPI-ATZWJUBSSA-N

> <PUBCHEM_EXACT_MASS>
1202.280528

> <PUBCHEM_MOLECULAR_FORMULA>
C36H74Cl6N6O25

> <PUBCHEM_MOLECULAR_WEIGHT>
1203.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)OC4C(OC(C(C4O)N)OC5C(OC(C(C5O)N)OC(C(CO)O)C(C(C=O)N)O)CO)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)N)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)N)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)CO)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
549

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1200.283478

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
73

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
29

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
47  11  5
52  11  6
49  13  6
58  13  5
40  15  6
43  16  5
51  18  5
57  19  5
67  19  6
54  20  5
62  23  5
64  25  6
69  28  6
70  29  6
41  32  5
45  33  6
50  34  6
56  35  6
61  36  6
71  37  5
44  59  6
46  60  5
53  63  5
55  66  5
65  68  5
39  7  6
42  7  6
38  8  5
48  8  5

$$$$
