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67819-78-7 | (2S)-3,4,4a,10aβ-Tetrahydro-4β-hydroxy-3α,4aβ-dimethoxy-2β-methyl-9-(2-pyridinyl)-2H-pyrano[3',2'
CAS No: 67819-78-7 Catalog No: AG00FZ5U MDL No:
Product Description
Catalog Number:
AG00FZ5U
Chemical Name:
(2S)-3,4,4a,10aβ-Tetrahydro-4β-hydroxy-3α,4aβ-dimethoxy-2β-methyl-9-(2-pyridinyl)-2H-pyrano[3',2'
CAS Number:
67819-78-7
IUPAC Name:
(3S,5S,6R,7R,8S)-12-[(Z)-hydroxyiminomethyl]-6,8-dimethoxy-5-methyl-14-pyridin-2-yl-2,4,9-trioxa-13-azatricyclo[8.4.0.03,8]tetradeca-1(10),11,13-trien-7-ol
InChI:
InChI=1S/C19H21N3O7/c1-10-15(25-2)17(23)19(26-3)18(27-10)28-16-13(29-19)8-11(9-21-24)22-14(16)12-6-4-5-7-20-12/h4-10,15,17-18,23-24H,1-3H3/b21-9-/t10-,15-,17+,18-,19-/m0/s1
InChI Key:
DFSOBOMFQVOJDJ-WXHMVKIXSA-N
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
1
Exact Mass:
403.138g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.391g/mol
Monoisotopic Mass:
403.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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