(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
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![(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bf3f1bbec9c044718d85eee09f6983d7.png "(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one")
(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
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CAS No:
59593-16-7
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Formula:
C13H14N2O4
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Chemical Name:
(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
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Synonyms:
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-,(3S,11aS)-;5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-,(3S-trans)-;(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one;Neothramycin A;(+)-Neothramycin A
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CAS No:
(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one Basic Attributes
262.26100
262.26
DTXSID80208264
Computed Properties
Molecular Weight:262.26
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:262.09535693
Monoisotopic Mass:262.09535693
Topological Polar Surface Area:82.4
Heavy Atom Count:19
Complexity:400
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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