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Home > Nitro Compounds > 869354-61-0
869354-61-0 | N1-(4-(T-BUTYL)BENZOYL)-D-(+)BIOTIN 2-NITROPHENYL ESTER
CAS No: 869354-61-0 Catalog No: AG00GT39 MDL No:
Product Description
Catalog Number:
AG00GT39
Chemical Name:
N1-(4-(T-BUTYL)BENZOYL)-D-(+)BIOTIN 2-NITROPHENYL ESTER
CAS Number:
869354-61-0
IUPAC Name:
(2-nitrophenyl) 5-[(3aR,6S,6aS)-3-(4-tert-butylbenzoyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoate
InChI:
InChI=1S/C27H31N3O6S/c1-27(2,3)18-14-12-17(13-15-18)25(32)29-20-16-37-22(24(20)28-26(29)33)10-6-7-11-23(31)36-21-9-5-4-8-19(21)30(34)35/h4-5,8-9,12-15,20,22,24H,6-7,10-11,16H2,1-3H3,(H,28,33)/t20-,22-,24-/m0/s1
InChI Key:
OSELJWZMRZIJEH-SSPYTLHUSA-N
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
525.193g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
525.62g/mol
Monoisotopic Mass:
525.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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