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Home > Nitro Compounds > 82628-87-3
82628-87-3 | 4'-O-(?-D-2”,3”,4”,6”-TETRAACETYL-GLUCOPYRANOSYL)-4-NITROPHLORETIN
CAS No: 82628-87-3 Catalog No: AG00G54T MDL No:
Product Description
Catalog Number:
AG00G54T
Chemical Name:
4'-O-(?-D-2”,3”,4”,6”-TETRAACETYL-GLUCOPYRANOSYL)-4-NITROPHLORETIN
CAS Number:
82628-87-3
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[3,5-dihydroxy-4-[3-(4-nitrophenyl)propanoyl]phenoxy]oxan-2-yl]methyl acetate
InChI:
InChI=1S/C29H31NO15/c1-14(31)40-13-24-26(41-15(2)32)27(42-16(3)33)28(43-17(4)34)29(45-24)44-20-11-22(36)25(23(37)12-20)21(35)10-7-18-5-8-19(9-6-18)30(38)39/h5-6,8-9,11-12,24,26-29,36-37H,7,10,13H2,1-4H3/t24-,26-,27+,28-,29-/m1/s1
InChI Key:
SGHSVHIGFLBYAX-KRZJEZTLSA-N
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
633.169g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
633.559g/mol
Monoisotopic Mass:
633.169g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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