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Home > Nitro Compounds > 80240-92-2
80240-92-2 | 3-(3-Methyl-3-nitrosoureido)-3-deoxy-α-D-glucopyranose
CAS No: 80240-92-2 Catalog No: AG00GJ7A MDL No:
Product Description
Catalog Number:
AG00GJ7A
Chemical Name:
3-(3-Methyl-3-nitrosoureido)-3-deoxy-α-D-glucopyranose
CAS Number:
80240-92-2
IUPAC Name:
1-methyl-1-nitroso-3-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]urea
InChI:
InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-5(13)3(2-12)18-7(15)6(4)14/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4+,5-,6-,7+/m1/s1
InChI Key:
DTFDKAOBBBPXRD-BIVRFLNRSA-N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
265.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
265.222g/mol
Monoisotopic Mass:
265.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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