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Home > Nitro Compounds > 64372-71-0
64372-71-0 | nitrobenzylthioformycin
CAS No: 64372-71-0 Catalog No: AG00F752 MDL No:
Product Description
Catalog Number:
AG00F752
Chemical Name:
nitrobenzylthioformycin
CAS Number:
64372-71-0
IUPAC Name:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
InChI:
InChI=1S/C17H17N5O6S/c23-6-12-13(24)14(25)17(28-12)21-15-11(5-20-21)16(19-8-18-15)29-7-9-1-3-10(4-2-9)22(26)27/h1-5,8,12-14,17,23-25H,6-7H2/t12-,13-,14-,17-/m1/s1
InChI Key:
NSHWXIMQXLHUQU-VMUDFCTBSA-N
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
419.09g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
419.412g/mol
Monoisotopic Mass:
419.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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