Cas no 100759-54-4 (D-Streptamine, O-a-D-mannopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1®2)-O-5-deoxy-3-C-formyl-a-L-lyxofuranosyl-(1®4)-N,N'-bis(aminoiminomethyl)-(9CI))
100759-54-4 structure
Product Name:D-Streptamine, O-a-D-mannopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1®2)-O-5-deoxy-3-C-formyl-a-L-lyxofuranosyl-(1®4)-N,N'-bis(aminoiminomethyl)-(9CI)
CAS No:100759-54-4
MF:C33H59N7O22
MW:905.855270624161
CID:175086
PubChem ID:196357
Update Time:2025-04-19
D-Streptamine, O-a-D-mannopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1®2)-O-5-deoxy-3-C-formyl-a-L-lyxofuranosyl-(1®4)-N,N'-bis(aminoiminomethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl
- 6'''-O-mannopyranosyl mannosidostreptomycin
- 2)-O-5-deoxy-3-C-formyl-a-L-lyxofuranosyl-(1®
- 2,2'-(4-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranosyl]oxy}-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
- 4)-N,N'-bis(aminoimino
- 4)-N,N'-bis(aminoiminomethyl)-(9CI)
- 4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1&
- 4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1®
- 6)-O-b-D-mannopyranosyl-(1®
- 6'''-Mpms
- DTXSID00905728
- 100759-54-4
- N,N'-(4-{[Hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranosyl]oxy}-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
- 2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
- D-Streptamine, O-a-D-mannopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1®2)-O-5-deoxy-3-C-formyl-a-L-lyxofuranosyl-(1®4)-N,N'-bis(aminoiminomethyl)-(9CI)
-
- Inchi： 1S/C33H59N7O22/c1-7-33(54,6-43)26(30(56-7)61-25-12(40-32(36)37)16(46)11(39-31(34)35)17(47)21(25)51)62-27-13(38-2)18(48)24(9(4-42)58-27)60-29-23(53)20(50)15(45)10(59-29)5-55-28-22(52)19(49)14(44)8(3-41)57-28/h6-30,38,41-42,44-54H,3-5H2,1-2H3,(H4,34,35,39)(H4,36,37,40)
- InChI Key： XIKSUQAETDPAAY-UHFFFAOYSA-N
- SMILES： O(C1C(C(C=O)(C(C)O1)O)OC1C(C(C(C(CO)O1)OC1C(C(C(C(COC2C(C(C(C(CO)O2)O)O)O)O1)O)O)O)O)NC)C1C(C(C(C(C1/N=C(\N)/N)O)/N=C(/N)\N)O)O
Computed Properties
- Exact Mass: 905.37147
- Monoisotopic Mass: 905.371
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 18
- Hydrogen Bond Acceptor Count: 25
- Heavy Atom Count: 62
- Rotatable Bond Count: 15
- Complexity: 1540
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 25
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -12.3
- Topological Polar Surface Area: 495?2
Experimental Properties
- Density: 2.07
- Boiling Point: 1237.6°Cat760mmHg
- Flash Point: 702.3°C
- Refractive Index: 1.77
- PSA: 494.73
- LogP: -9.32060
D-Streptamine, O-a-D-mannopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1®2)-O-5-deoxy-3-C-formyl-a-L-lyxofuranosyl-(1®4)-N,N'-bis(aminoiminomethyl)-(9CI) Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
100759-54-4 (D-Streptamine, O-a-D-mannopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1®2)-O-5-deoxy-3-C-formyl-a-L-lyxofuranosyl-(1®4)-N,N'-bis(aminoiminomethyl)-(9CI)) Related Products
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