methyl (3S,4S,5R)-3,5-dihydroxy-4-phenylmethoxycyclohexene-1-carboxylate
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methyl (3S,4S,5R)-3,5-dihydroxy-4-phenylmethoxycyclohexene-1-carboxylate
structure -
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CAS No:
117661-93-5
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Formula:
C15H18O5
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Chemical Name:
methyl (3S,4S,5R)-3,5-dihydroxy-4-phenylmethoxycyclohexene-1-carboxylate
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Synonyms:
MBESK;methyl 4-O-benzyl-3-epishikimate;117661-93-5;MBESK;Methyl 4-O-benzyl-3-epishikimate;DTXSID40922510;methyl (3S,4S,5R)-3,5-dihydroxy-4-phenylmethoxycyclohexene-1-carboxylate;Methyl 4-(benzyloxy)-3,5-dihydroxycyclohex-1-ene-1-carboxylate
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CAS No:
methyl (3S,4S,5R)-3,5-dihydroxy-4-phenylmethoxycyclohexene-1-carboxylate Basic Attributes
278.30 g/mol
278.11542367 g/mol
Computed Properties
Molecular Weight:278.30
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:278.11542367
Monoisotopic Mass:278.11542367
Topological Polar Surface Area:76
Heavy Atom Count:20
Complexity:359
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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