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124917-28-8 | 5,12-Naphthacenedione, 9-acetyl-7-[[(2R,5R,6S)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S,9S)-
CAS No: 124917-28-8 Catalog No: AG000MVQ MDL No:
Product Description
Catalog Number:
AG000MVQ
Chemical Name:
5,12-Naphthacenedione, 9-acetyl-7-[[(2R,5R,6S)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S,9S)-
CAS Number:
124917-28-8
Molecular Formula:
C26H27NO8
Molecular Weight:
481.4945
IUPAC Name:
(7S,9S)-9-acetyl-7-[(2S,5R,6S)-5-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
InChI:
InChI=1S/C26H27NO8/c1-11-16(27)7-8-18(34-11)35-17-10-26(33,12(2)28)9-15-19(17)25(32)21-20(24(15)31)22(29)13-5-3-4-6-14(13)23(21)30/h3-6,11,16-18,31-33H,7-10,27H2,1-2H3/t11-,16+,17-,18+,26-/m0/s1
InChI Key:
VNZXULGDRPCCMZ-DTKMCAIVSA-N
SMILES:
N[C@@H]1CC[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C
Properties
Complexity:
879
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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