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84082-03-1 | 8-acetyl-10-(4-amino-5-hydroxy-6-methyl-oxan-2-yl)oxy-6,8-dihydroxy-9,10-dihydro-7H-tetracene-5,12-dione
CAS No: 84082-03-1 Catalog No: AG004PXM MDL No:
Product Description
Catalog Number:
AG004PXM
Chemical Name:
8-acetyl-10-(4-amino-5-hydroxy-6-methyl-oxan-2-yl)oxy-6,8-dihydroxy-9,10-dihydro-7H-tetracene-5,12-dione
CAS Number:
84082-03-1
Molecular Formula:
C26H27NO8
Molecular Weight:
481.4945
IUPAC Name:
9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
InChI:
InChI=1S/C26H27NO8/c1-11-22(29)18(27)8-20(34-11)35-19-10-26(33,12(2)28)9-17-15(19)7-16-21(25(17)32)24(31)14-6-4-3-5-13(14)23(16)30/h3-7,11,18-20,22,29,32-33H,8-10,27H2,1-2H3
InChI Key:
VBIYTXNRFIHEIE-UHFFFAOYSA-N
SMILES:
OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1cc1C(=O)c3ccccc3C(=O)c1c2O)C(=O)C
Properties
Complexity:
879
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.174g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
481.501g/mol
Monoisotopic Mass:
481.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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