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15425-10-2 | (3R)-3,4,5,6-Tetrahydro-4β,5β-dihydroxy-3β,6β-epoxy-2H,8H-pyrimido[6,1-b][1,3]oxazocine-8,10(9H)-dione
CAS No: 15425-10-2 Catalog No: AG00B4XY MDL No:
Product Description
Catalog Number:
AG00B4XY
Chemical Name:
(3R)-3,4,5,6-Tetrahydro-4β,5β-dihydroxy-3β,6β-epoxy-2H,8H-pyrimido[6,1-b][1,3]oxazocine-8,10(9H)-dione
CAS Number:
15425-10-2
IUPAC Name:
(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione
InChI:
InChI=1S/C9H10N2O6/c12-4-1-5-11(9(15)10-4)8-7(14)6(13)3(17-8)2-16-5/h1,3,6-8,13-14H,2H2,(H,10,12,15)/t3-,6-,7-,8-/m1/s1
InChI Key:
SJHFNVGVSNXHJS-YXZULKJRSA-N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
242.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.187g/mol
Monoisotopic Mass:
242.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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