Home Other Building Blocks CONCANAMYCIN A

CONCANAMYCIN A

CAS No.:
80890-47-7
Catalog Number:
AG00G2I1
Molecular Formula:
C46H75NO14
Molecular Weight:
866.0860
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$848
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Product Description
Catalog Number:
AG00G2I1
Chemical Name:
CONCANAMYCIN A
CAS Number:
80890-47-7
Molecular Formula:
C46H75NO14
Molecular Weight:
866.0860
MDL Number:
MFCD00210037
IUPAC Name:
[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
InChI:
InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1
InChI Key:
DJZCTUVALDDONK-HQMSUKCRSA-N
SMILES:
C/C=C/[C@H]1O[C@](O)(C[C@H]([C@@H]1C)O[C@H]1C[C@@H](O)[C@@H]([C@H](O1)C)OC(=O)N)[C@H]([C@@H]([C@@H]([C@H]1OC(=O)/C(=C/C(=C/[C@@H](C)[C@@H](O)[C@H]([C@H]([C@@H](C/C(=C/C=C/[C@@H]1OC)/C)C)O)CC)/C)/OC)C)O)C
Properties
Complexity:
1580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
18  
Defined Bond Stereocenter Count:
5  
Exact Mass:
865.519g/mol
Formal Charge:
0
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
866.099g/mol
Monoisotopic Mass:
865.519g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Literature
Title Journal
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Properties