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Home > Nitro Compounds > 869354-63-2
869354-63-2 | N1-(Dimethoxytrityl)-D-(+)biotin2-NitrophenylEster
CAS No: 869354-63-2 Catalog No: AG01E5KU MDL No:
Product Description
Catalog Number:
AG01E5KU
Chemical Name:
N1-(Dimethoxytrityl)-D-(+)biotin2-NitrophenylEster
CAS Number:
869354-63-2
IUPAC Name:
(2-nitrophenyl) 5-[(3aR,6S,6aS)-3-[bis(4-methoxyphenyl)-phenylmethyl]-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoate
InChI:
InChI=1S/C37H37N3O7S/c1-45-28-20-16-26(17-21-28)37(25-10-4-3-5-11-25,27-18-22-29(46-2)23-19-27)39-31-24-48-33(35(31)38-36(39)42)14-8-9-15-34(41)47-32-13-7-6-12-30(32)40(43)44/h3-7,10-13,16-23,31,33,35H,8-9,14-15,24H2,1-2H3,(H,38,42)/t31-,33-,35-/m0/s1
InChI Key:
HWHJXCMCVVLDTI-YXSDWHQUSA-N
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
667.235g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
667.777g/mol
Monoisotopic Mass:
667.235g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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