Home Aminos Cytidine,3'-amino-2',3'-dideoxy- (9CI)

Cytidine,3'-amino-2',3'-dideoxy- (9CI)

CAS No.:
84472-90-2
Catalog Number:
AG008I20
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
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Product Description
Catalog Number:
AG008I20
Chemical Name:
Cytidine,3'-amino-2',3'-dideoxy- (9CI)
CAS Number:
84472-90-2
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
MDL Number:
MFCD00870894
IUPAC Name:
4-amino-1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H14N4O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4,10H2,(H2,11,12,15)/t5-,6+,8+/m0/s1
InChI Key:
LDQAHTVPOZCQNH-SHYZEUOFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1N)n1ccc(nc1=O)N
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Literature
Title Journal
The role of deoxycytidine-metabolizing enzymes in the cytotoxicity induced by 3'-amino-2',3'-dideoxycytidine and cytosine arabinoside. Cancer chemotherapy and pharmacology 19920101
Properties