[(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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[(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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CAS No:
56981-66-9
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Formula:
C22H31N3O6
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Chemical Name:
[(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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Synonyms:
56981-66-9;7-Heptyloxy-7-demethoxymitomycin A;7-Heptyloxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate;Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-heptyloxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate;DTXSID10972466;[6-(Heptyloxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
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CAS No:
[(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate Basic Attributes
433.5 g/mol
433.22128572 g/mol
Computed Properties
Molecular Weight:433.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:433.22128572
Monoisotopic Mass:433.22128572
Topological Polar Surface Area:130
Heavy Atom Count:31
Complexity:865
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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