agropine
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agropine
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CAS No:
70699-77-3
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Formula:
C11H20N2O7
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Chemical Name:
agropine
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Synonyms:
(1"-deoxy-D-mannitol-1"-yl)-L-glutamine,1",2"-lactone;1H-Pyrrolo(2,1-c)(1,4)oxazine-1,6(7H)-dione, tetrahydro-3-(1,2,3,4-tetrahydroxybutyl)-;agropine;DTXSID70990949;3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide;3-[2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanimidic acid;D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, intermol. 1,2-ester, (S)-
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CAS No:
Computed Properties
Molecular Weight:292.29
XLogP3:-3.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:292.12705098
Monoisotopic Mass:292.12705098
Topological Polar Surface Area:162
Heavy Atom Count:20
Complexity:352
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes