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41547-71-1 | (3R)-4α-(Acetyloxy)-3,4,5,6-tetrahydro-11-methyl-3β,6β-epoxy-2H,8H-pyrimido[6,1-b][1,3]oxazocine-8,10(9H)-dione
CAS No: 41547-71-1 Catalog No: AG00D6VI MDL No:
Product Description
Catalog Number:
AG00D6VI
Chemical Name:
(3R)-4α-(Acetyloxy)-3,4,5,6-tetrahydro-11-methyl-3β,6β-epoxy-2H,8H-pyrimido[6,1-b][1,3]oxazocine-8,10(9H)-dione
CAS Number:
41547-71-1
IUPAC Name:
[(1R,10R,11R)-6-methyl-3,5-dioxo-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-en-11-yl] acetate
InChI:
InChI=1S/C12H14N2O6/c1-5-10(16)13-12(17)14-9-3-7(19-6(2)15)8(20-9)4-18-11(5)14/h7-9H,3-4H2,1-2H3,(H,13,16,17)/t7-,8-,9-/m1/s1
InChI Key:
XVCVEEPCYAUTPK-IWSPIJDZSA-N
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
282.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.252g/mol
Monoisotopic Mass:
282.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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