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Epelmycin D

CAT: 0013-GTR19255729-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255729-02Size:10 mg
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Description
Epelmycin D exhibits activity against both Gram-positive and Gram-negative bacteria, as well as Candida albicans, and demonstrates efficacy against leukemia (L1210) .
CAS Number
130852-65-2
Field of Research
Infectious Disease & Virology
Smiles
O ([C@@H]1C2=C ([C@@H] (C (OC) =O) [C@] (CC) (O) C1) C (O) =C3C (=C2O) C (=O) C=4C (C3=O) =CC=CC4O) [C@H]5C[C@H] (N (C) C) [C@H] (O) [C@H] (C) O5
Molecular Formula
C30H35NO11
Molecular Weight
585.599
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

epsilon-Rhodomycin T

Epsilon-Rhodomycin T is an anthracycline.

CAS Number130852-65-2
PubChem CID13936688
IUPAC Namemethyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Molecular FormulaC30H35NO11
Molecular Weight585.6
XLogP3.3
Topological Polar Surface Area183
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1050
SMILES
CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O
InChI
InChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16-,17-,23-,24+,30+/m0/s1
InChIKey
CVACSAHKWDLUII-DTNVTZSYSA-N
Chemical Structure
2D Structure
2D structure of epsilon-Rhodomycin T
CAS: 130852-65-2
CID: 13936688
Formula: C30H35NO11
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP33.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass585.22101093
Monoisotopic Mass585.22101093
Topological Polar Surface Area183 Ų
Heavy Atom Count42
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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