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117751-59-4 | azidoiodophenethylamidosuccinylcymarin
CAS No: 117751-59-4 Catalog No: AG009L98 MDL No:
Product Description
Catalog Number:
AG009L98
Chemical Name:
azidoiodophenethylamidosuccinylcymarin
CAS Number:
117751-59-4
IUPAC Name:
[6-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate
InChI:
InChI=1S/C42H55IN4O11/c1-24-38(58-35(50)7-6-34(49)45-17-12-25-4-5-32(46-47-44)31(43)18-25)33(54-3)20-37(56-24)57-27-8-14-40(23-48)29-9-13-39(2)28(26-19-36(51)55-22-26)11-16-42(39,53)30(29)10-15-41(40,52)21-27/h4-5,18-19,23-24,27-30,33,37-38,52-53H,6-17,20-22H2,1-3H3,(H,45,49)
InChI Key:
ROXBGBWUWZTYLZ-UHFFFAOYSA-N
Properties
Complexity:
1660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
918.291g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
918.823g/mol
Monoisotopic Mass:
918.291g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
12
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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