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74518-57-3 | 9α-Vinyl-8β-(β-D-glucopyranosyloxy)-2,3,9,9aβ,10,10aβ-hexahydro-5H,8H-pyrano[4,3-d]thiazolo[3,2-a]pyridin-5-one
CAS No: 74518-57-3 Catalog No: AG00FWVC MDL No:
Product Description
Catalog Number:
AG00FWVC
Chemical Name:
9α-Vinyl-8β-(β-D-glucopyranosyloxy)-2,3,9,9aβ,10,10aβ-hexahydro-5H,8H-pyrano[4,3-d]thiazolo[3,2-a]pyridin-5-one
CAS Number:
74518-57-3
IUPAC Name:
(7S,9S,10R,11S)-10-ethenyl-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-oxa-6-thia-3-azatricyclo[7.4.0.03,7]tridec-1(13)-en-2-one
InChI:
InChI=1S/C18H25NO8S/c1-2-8-9-5-12-19(3-4-28-12)16(24)10(9)7-25-17(8)27-18-15(23)14(22)13(21)11(6-20)26-18/h2,7-9,11-15,17-18,20-23H,1,3-6H2/t8-,9+,11?,12+,13?,14?,15?,17+,18?/m1/s1
InChI Key:
RMTHFMSBPWQULL-LTDZNUIOSA-N
NSC Number:
339673
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
415.13g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
415.457g/mol
Monoisotopic Mass:
415.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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