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4088-91-9 | (3R)-3,4,5,6-Tetrahydro-4β-hydroxy-3β,6β-epoxy-2H,8H-pyrimido[6,1-b][1,3]oxazocine-8,10(9H)-dione
CAS No: 4088-91-9 Catalog No: AG00D61T MDL No:
Product Description
Catalog Number:
AG00D61T
Chemical Name:
(3R)-3,4,5,6-Tetrahydro-4β-hydroxy-3β,6β-epoxy-2H,8H-pyrimido[6,1-b][1,3]oxazocine-8,10(9H)-dione
CAS Number:
4088-91-9
IUPAC Name:
(1R,10R,11S)-11-hydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione
InChI:
InChI=1S/C9H10N2O5/c12-4-1-8-11-7(15-3-5(4)16-8)2-6(13)10-9(11)14/h2,4-5,8,12H,1,3H2,(H,10,13,14)/t4-,5+,8+/m0/s1
InChI Key:
NWLPBAJYXWOYOX-CPDSJTNBSA-N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
226.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.188g/mol
Monoisotopic Mass:
226.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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