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51391-98-1 | 2,2'-anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine
CAS No: 51391-98-1 Catalog No: AG00DNYG MDL No:
Product Description
Catalog Number:
AG00DNYG
Chemical Name:
2,2'-anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine
CAS Number:
51391-98-1
IUPAC Name:
[(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-11-iodo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] acetate;hydrochloride
InChI:
InChI=1S/C11H12IN3O5.ClH/c1-4(17)18-7-6(3-16)19-10-8(7)20-11-14-9(13)5(12)2-15(10)11;/h2,6-8,10,13,16H,3H2,1H3;1H/t6-,7-,8+,10-;/m1./s1
InChI Key:
WYNRYQPILOPWIO-ZMEWEQIWSA-N
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
428.959g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
429.595g/mol
Monoisotopic Mass:
428.959g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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