Cas no 115722-50-4 (5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI))
115722-50-4 structure
Product Name:5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI)
CAS No:115722-50-4
MF:C24H35N3O6
MW:461.551206827164
CID:190093
PubChem ID:20839803
Update Time:2025-04-19
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI)
- (8Z)-2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
- 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-manno...
- 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-
- DC 102 antibiotic
- (2Z)-11-methoxy-5-oxo-2-propylidene-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]
- 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-7-((4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl)oxy)-11-methoxy-2-propylidene-
- 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 7-((4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl)oxy)-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-
- DC 102
- 115722-50-4
- (8E)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
- Antibiotic DC 102
-
- Inchi: 1S/C24H35N3O6/c1-6-7-14-10-18-21(31-5)26-17-9-8-15(11-16(17)22(29)27(18)12-14)33-23-20(28)24(3,30)19(25-4)13(2)32-23/h7-9,11,13,18-21,23,25-26,28,30H,6,10,12H2,1-5H3/b14-7+/t13-,18?,19-,20-,21?,23-,24+/m0/s1
- InChI Key: MOZKTLDMJSXLBW-HXIFYCGYSA-N
- SMILES: O1[C@H]([C@@H]([C@@](C)([C@H]([C@@H]1C)NC)O)O)OC1C=CC2=C(C=1)C(N1C/C(=C/CC)/CC1C(N2)OC)=O
Computed Properties
- Exact Mass: 461.25275
- Monoisotopic Mass: 461.252586
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 33
- Rotatable Bond Count: 5
- Complexity: 750
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113
- XLogP3: 1
Experimental Properties
- Density: 1.29
- Boiling Point: 674.5°Cat760mmHg
- Flash Point: 361.7°C
- Refractive Index: 1.61
- PSA: 112.52
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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