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A 51493A

CAT: 0013-GTR19198437-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198437-02Size:50 mg
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Description
A51493A is an anthracyclinone-class antibiotic derived from Streptomyces humifer. It serves as a research tool for studying antibiotic mechanisms and has been utilized in vitro to investigate its activity against bacterial cultures and potential cytotoxic effects.
CAS Number
121245-06-5
Field of Research
Infectious Disease & Virology
Smiles
CC1OC (CC (C1O) N (C) C) OC (CO) (C1CO1) c1cc (=O) c2c (C) cc3C (=O) c4cccc (O) c4C (=O) c3c2o1
Molecular Formula
C30H31NO10
Molecular Weight
565.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 51493A

from Streptomyces humifer; structure given in first source

CAS Number121245-06-5
PubChem CID121489796
IUPAC Name2-[1-[(2S,4S,5S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-1-(oxiran-2-yl)ethyl]-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione
Molecular FormulaC30H31NO10
Molecular Weight565.6
XLogP1.6
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1110
SMILES
CC1[C@H]([C@H](C[C@@H](O1)OC(CO)(C2CO2)C3=CC(=O)C4=C(O3)C5=C(C=C4C)C(=O)C6=C(C5=O)C(=CC=C6)O)N(C)C)O
InChI
InChI=1S/C30H31NO10/c1-13-8-16-25(28(37)24-15(27(16)36)6-5-7-18(24)33)29-23(13)19(34)10-20(40-29)30(12-32,21-11-38-21)41-22-9-17(31(3)4)26(35)14(2)39-22/h5-8,10,14,17,21-22,26,32-33,35H,9,11-12H2,1-4H3/t14?,17-,21?,22-,26+,30?/m0/s1
InChIKey
DPEJSNRXRQGSSD-YBJSLIEJSA-N
Chemical Structure
2D Structure
2D structure of A 51493A
CAS: 121245-06-5
CID: 121489796
Formula: C30H31NO10
MW: 565.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.6
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass565.19479619
Monoisotopic Mass565.19479619
Topological Polar Surface Area155 Ų
Heavy Atom Count41
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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