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Structure

Riboflavin,5'-butanoate(9ci)

CAS
20704-80-7
Catalog Number
ACM20704807
Category
Other Products
Molecular Weight
446.4537
Molecular Formula
C21H26N4O7

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Specification

Synonyms
Riboflavin, 5-butanoate, Riboflavin-5-monobutyrate, CID189057, 20704-80-7
IUPAC Name
[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate
Canonical SMILES
CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)O)O)O
InChI Key
DNNYFPLSGADQHQ-RVKKMQEKSA-N
Density
1.5g/cm³
Exact Mass
588.39300
H-Bond Acceptor
9
H-Bond Donor
4
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