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(6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
(6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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![(6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e096c62abee744878f0fc133766e0266.png "(6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one")
(6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
structure -
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CAS No:
72274-97-6
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Formula:
C13H16N2O4
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Chemical Name:
(6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Synonyms:
10,11-Dihydroneothramycin B;5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)-;72274-97-6
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CAS No:
(6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Basic Attributes
264.28 g/mol
264.11100700 g/mol
Computed Properties
Molecular Weight:264.28
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:264.11100700
Monoisotopic Mass:264.11100700
Topological Polar Surface Area:82
Heavy Atom Count:19
Complexity:365
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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