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20704-80-7 | Riboflavin, 5'-butanoate
CAS No: 20704-80-7 Catalog No: AG002ITR MDL No:
Product Description
Catalog Number:
AG002ITR
Chemical Name:
Riboflavin, 5'-butanoate
CAS Number:
20704-80-7
IUPAC Name:
[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate
InChI:
InChI=1S/C21H26N4O7/c1-4-5-16(28)32-9-15(27)18(29)14(26)8-25-13-7-11(3)10(2)6-12(13)22-17-19(25)23-21(31)24-20(17)30/h6-7,14-15,18,26-27,29H,4-5,8-9H2,1-3H3,(H,24,30,31)/t14-,15+,18-/m0/s1
InChI Key:
DNNYFPLSGADQHQ-DAYGRLMNSA-N
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
446.18g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
446.46g/mol
Monoisotopic Mass:
446.18g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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