5(S),6(R),7-TRIHYDROXYHEPTANOICACID,METHYLESTER
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5(S),6(R),7-TRIHYDROXYHEPTANOICACID,METHYLESTER
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CAS No:
78606-80-1
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Formula:
C8H16O5
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Chemical Name:
5(S),6(R),7-TRIHYDROXYHEPTANOICACID,METHYLESTER
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Synonyms:
BML-111;5(S),6(R),7-TRIHYDROXYHEPTANOIC ACID, METHYL ESTER;(5S,6R)-METHYL 5,6,7-TRIHYDROXYHEPTANOATE;Heptanoic acid, 5,6,7-trihydroxy-, methyl ester, (5S,6R)-
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CAS No:
Computed Properties
Molecular Weight:192.21
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:192.09977361
Monoisotopic Mass:192.09977361
Topological Polar Surface Area:87
Heavy Atom Count:13
Complexity:148
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 5(S),6(R),7-TRIHYDROXYHEPTANOICACID,METHYLESTER
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