200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89845-34-1
89845-34-1 | Cytidine, N-[(2-nitrophenyl)thio]-
CAS No: 89845-34-1 Catalog No: AG003YR4 MDL No:
Product Description
Catalog Number:
AG003YR4
Chemical Name:
Cytidine, N-[(2-nitrophenyl)thio]-
CAS Number:
89845-34-1
Molecular Formula:
C15H16N4O7S
Molecular Weight:
396.3751
IUPAC Name:
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-nitrophenyl)sulfanylamino]pyrimidin-2-one
InChI:
InChI=1S/C15H16N4O7S/c20-7-9-12(21)13(22)14(26-9)18-6-5-11(16-15(18)23)17-27-10-4-2-1-3-8(10)19(24)25/h1-6,9,12-14,20-22H,7H2,(H,16,17,23)
InChI Key:
VENDYYQCIIRVJJ-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)NSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.074g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
396.374g/mol
Monoisotopic Mass:
396.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.