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63909-08-0 | Adriamycin-14-glycolate
CAS No: 63909-08-0 Catalog No: AG00EMVK MDL No:
Product Description
Catalog Number:
AG00EMVK
Chemical Name:
Adriamycin-14-glycolate
CAS Number:
63909-08-0
IUPAC Name:
[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-hydroxyacetate;hydrochloride
InChI:
InChI=1S/C29H31NO13.ClH/c1-11-24(34)14(30)6-19(42-11)43-16-8-29(39,17(32)10-41-18(33)9-31)7-13-21(16)28(38)23-22(26(13)36)25(35)12-4-3-5-15(40-2)20(12)27(23)37;/h3-5,11,14,16,19,24,31,34,36,38-39H,6-10,30H2,1-2H3;1H
InChI Key:
GPQHXDURKCDULM-UHFFFAOYSA-N
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
637.156g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
638.019g/mol
Monoisotopic Mass:
637.156g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
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