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FLUORESCEIN LISICOL

CAS No.:
140616-46-2
Catalog Number:
AG009HQN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009HQN
Chemical Name:
FLUORESCEIN LISICOL
CAS Number:
140616-46-2
MDL Number:
MFCD09837683
IUPAC Name:
(2S)-6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]-2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
InChI:
InChI=1S/C51H63N3O11S/c1-26(33-14-15-37-45-38(25-43(59)50(33,37)3)49(2)18-17-31(57)20-27(49)21-40(45)58)7-16-44(60)54-39(46(61)62)6-4-5-19-52-48(66)53-28-8-11-34-32(22-28)47(63)65-51(34)35-12-9-29(55)23-41(35)64-42-24-30(56)10-13-36(42)51/h8-13,22-24,26-27,31,33,37-40,43,45,55-59H,4-7,14-21,25H2,1-3H3,(H,54,60)(H,61,62)(H2,52,53,66)/t26-,27+,31-,33-,37?,38?,39+,40-,43+,45?,49+,50-/m1/s1
InChI Key:
KHNJPPGHIWPDLG-QCKHQWRLSA-N
Properties
Complexity:
1780  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
925.418g/mol
Formal Charge:
0
Heavy Atom Count:
66  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
926.135g/mol
Monoisotopic Mass:
925.418g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
259A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  
Properties