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A 51493A

CAT: 0931-T26418-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26418-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121245-06-5
Target
Others, Antibacterial, Antibiotic
Related Pathways
Others, Microbiology/Virology
Bioactivity
A51493A is a novel antibiotic in the class of anthracyclinone, it is produced by a strain of Streptomyces humifer.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
GTR19198437-01A 51493A

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