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29706-84-1 | Thymidine, 3'-azido-3'-deoxy-5'-O-(triphenylmethyl)-
CAS No: 29706-84-1 Catalog No: AG002Z60 MDL No:
Product Description
Catalog Number:
AG002Z60
Chemical Name:
Thymidine, 3'-azido-3'-deoxy-5'-O-(triphenylmethyl)-
CAS Number:
29706-84-1
Molecular Formula:
C29H27N5O4
Molecular Weight:
509.5558
IUPAC Name:
1-[(2R,4S,5S)-4-azido-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C29H27N5O4/c1-20-18-34(28(36)31-27(20)35)26-17-24(32-33-30)25(38-26)19-37-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3,(H,31,35,36)/t24-,25+,26+/m0/s1
InChI Key:
AZPSSDWPMSICSH-JIMJEQGWSA-N
SMILES:
Cc1cn([C@@H]2O[C@@H]([C@H](C2)N=[N+]=[N-])COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
EC Number:
608-402-3
Properties
Complexity:
884
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
509.206g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
509.566g/mol
Monoisotopic Mass:
509.206g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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