Indicine
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Indicine
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CAS No:
480-82-0
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Formula:
C15H25NO5
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Chemical Name:
Indicine
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Synonyms:
Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-,[(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester,(2R,3S)-;Indicine;Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-,(2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester,[1R-[1α,7(2R*,3S*),7aβ]]-;(+)-Indicine;Retronecine,7-[(2R,3S)-2,3-dihydroxy-2-isopropylbutyrate];NSC 136052
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CAS No:
Characteristics
90.23000
-0.4
1.26g/cm3
97-98 °C
463.3ºC at 760 mmHg
234ºC
1.567
1.57E-10mmHg at 25°C
Computed Properties
Molecular Weight:299.36
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:299.17327290
Monoisotopic Mass:299.17327290
Topological Polar Surface Area:90.2
Heavy Atom Count:21
Complexity:436
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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