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Home > Imidazoles > 53910-25-1
53910-25-1 | (8R)-3-(2-Deoxy-β-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
CAS No: 53910-25-1 Catalog No: AG0038O6 MDL No:MFCD00078802
Product Description
Catalog Number:
AG0038O6
Chemical Name:
(8R)-3-(2-Deoxy-β-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
CAS Number:
53910-25-1
Molecular Formula:
C11H16N4O4
Molecular Weight:
268.2691
MDL Number:
MFCD00078802
IUPAC Name:
(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
InChI:
InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
InChI Key:
FPVKHBSQESCIEP-JQCXWYLXSA-N
SMILES:
OC[C@H]1O[C@@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O
UNII:
395575MZO7
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
268.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
268.273g/mol
Monoisotopic Mass:
268.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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