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160300-90-3 | Thymidine, 3'-azido-5-bromo-3'-deoxy-6-ethoxydihydro-, (5R,6S)- (9CI)
CAS No: 160300-90-3 Catalog No: AG001RU1 MDL No:
Product Description
Catalog Number:
AG001RU1
Chemical Name:
Thymidine, 3'-azido-5-bromo-3'-deoxy-6-ethoxydihydro-, (5R,6S)- (9CI)
CAS Number:
160300-90-3
Molecular Formula:
C12H18BrN5O5
Molecular Weight:
392.2058
IUPAC Name:
(5R,6S)-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-6-ethoxy-5-methyl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C12H18BrN5O5/c1-3-22-10-12(2,13)9(20)15-11(21)18(10)8-4-6(16-17-14)7(5-19)23-8/h6-8,10,19H,3-5H2,1-2H3,(H,15,20,21)/t6-,7+,8+,10-,12-/m0/s1
InChI Key:
PEXTUNYSUGCNRK-OYCFVEEGSA-N
SMILES:
CCO[C@@H]1N([C@@H]2O[C@@H]([C@H](C2)N=[N+]=[N-])CO)C(=O)NC(=O)[C@]1(C)Br
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
391.049g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.21g/mol
Monoisotopic Mass:
391.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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