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Home > Nitro Compounds > 89845-37-4
89845-37-4 | Cytidine, 2'-deoxy-N-[(2-nitrophenyl)thio]-
CAS No: 89845-37-4 Catalog No: AG003YR3 MDL No:
Product Description
Catalog Number:
AG003YR3
Chemical Name:
Cytidine, 2'-deoxy-N-[(2-nitrophenyl)thio]-
CAS Number:
89845-37-4
Molecular Formula:
C15H16N4O6S
Molecular Weight:
380.3757
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-nitrophenyl)sulfanylamino]pyrimidin-2-one
InChI:
InChI=1S/C15H16N4O6S/c20-8-11-10(21)7-14(25-11)18-6-5-13(16-15(18)22)17-26-12-4-2-1-3-9(12)19(23)24/h1-6,10-11,14,20-21H,7-8H2,(H,16,17,22)/t10-,11+,14+/m0/s1
InChI Key:
HCPHMMXFWWAQRN-MISXGVKJSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)NSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
380.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.375g/mol
Monoisotopic Mass:
380.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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