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TETRACYCLINE 10-O-B-D-GALACTOPYRANOSIDE

CAS No.:
319426-63-6
Catalog Number:
AG00BXX7
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BXX7
Chemical Name:
TETRACYCLINE 10-O-B-D-GALACTOPYRANOSIDE
CAS Number:
319426-63-6
MDL Number:
MFCD03453021
IUPAC Name:
(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-10-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
InChI:
InChI=1S/C28H34N2O13/c1-27(40)9-5-4-6-12(42-26-22(36)21(35)18(32)13(8-31)43-26)14(9)19(33)15-10(27)7-11-17(30(2)3)20(34)16(25(29)39)24(38)28(11,41)23(15)37/h4-6,10-11,13,17-18,21-22,26,31-33,35-36,38,40-41H,7-8H2,1-3H3,(H2,29,39)/t10-,11-,13+,17-,18-,21-,22+,26+,27+,28-/m0/s1
InChI Key:
NQIGPCCKIYYEBO-UCUSNPRGSA-N
Properties
Complexity:
1270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
606.206g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
606.581g/mol
Monoisotopic Mass:
606.206g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
261A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties