Cas no 88669-04-9 (Trospectomycin)
Trospectomycin structure
Product Name:Trospectomycin
Trospectomycin Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-,(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
- 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-,(2R,4aR,5aR,6S,7S,8R,9S,9aR,1
- Trospectomycin
- 4H-Pyrano(2,3-B)(1,4)benzodioxin-4-one,2-butyldecahydro-4A,7,9-trihydroxy-6,8-bis(methylamino)-,(2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))
- 4H-Pyrano(2,3-B)(1,4)benzodioxin-4-one,2-butyldecahydro-4A,7,9-trihydroxy-6,8-bis(methylamino)-,(2R,4ar,5ar,6S,7S,8R,9S,9ar,10as)
- 6'-n-propylspectinomycin
- Trospectomicina
- Trospectomicina [spanish]
- Trospectomycine [french]
- U6633(F)B
- 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
- NS00011761
- Trospectomycinum
- Trospectomycine
- U-63,366
- (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-2-BUTYLDECAHYDRO-4A,7,9-TRIHYDROXY-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE
- TROSPECTOMYCIN [VANDF]
- U63366F
- SCHEMBL149850
- DTXSID20869010
- (1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo(8.4.0.03,8)tetradecan-7-one
- Trospectomycinum (Latin)
- (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-butyl-4a,7,9-trihydroxy-6,8-bis(methylamino)-3,5a,6,7,8,9,9a,10a-octahydro-2H-benzo[[?]]pyrano[[?]][1,4]dioxin-4-one
- (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Butyldecahydro-4a,7,9- trihydroxy-6,8-bis(methylamino)-4H-pyrano[2,3-b][1, 4]benzodioxin-4-one
- Trospectomycin [INN:BAN]
- Spectinomycin deriv U6633F(B)
- (1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
- GTPL10870
- DTXCID60820903
- TROSPECTOMYCIN SULFATE
- U-63366
- 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-
- CHEBI:135577
- 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
- 4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, 2-BUTYLDECAHYDRO-4A,7,9-TRIHYDROXY-6,8-BIS(METHYLAMINO)-, (2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-
- 5S94MC2FRG
- CHEMBL1614655
- 88669-04-9
- TROSPECTOMYCIN [INN]
- Trospectinomycin
- TROSPECTOMYCIN [MI]
- Q27262806
- 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-
- UNII-5S94MC2FRG
- Trospectomycinum [Latin]
-
- Inchi： InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3/t8-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1
- InChI Key： KHAUBYTYGDOYRU-IRXASZMISA-N
- SMILES： CCCCC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O
Computed Properties
- Exact Mass: 374.20500
- Monoisotopic Mass: 374.205301
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 521
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 130
- XLogP3: -1.7
Experimental Properties
- Density: 1.33
- Boiling Point: 599.3°C at 760 mmHg
- Flash Point: 316.3°C
- Refractive Index: 1.568
- PSA: 129.51000
- LogP: -0.97350
Trospectomycin Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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