Auramycin A

CAT: 0013-GTR19248472-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19248472-01Size:10 mg

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Description

Auramycin A is an anthracycline antibiotic active against Gram-positive bacteria in vitro. It also exhibits antitumor efficacy in mouse leukemia models, such as P388 and L1210, supporting research in infectious disease and oncology.

CAS Number

78173-92-9

Field of Research

Infectious Disease & Virology

Smiles

O ([C@@H]1C2=C ([C@@H] (C (OC) =O) [C@] (C) (O) C1) C=C3C (=C2O) C (=O) C=4C (C3=O) =CC=CC4O) [C@H]5C[C@H] (N (C) C) [C@H] (O[C@H]6C[C@H] (O) [C@H] (O[C@@H]7O[C@@H] (C) C (=O) CC7) [C@H] (C) O6) [C@H] (C) O5

Molecular Formula

C41H51NO15

Molecular Weight

797.841

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Auramycin A

Auramycin A is an anthracycline.

CAS Number	78173-92-9
PubChem CID	139589085
IUPAC Name	methyl (1R,2R,4S)-4-[(2R,4R,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5R,6R)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Molecular Formula	C41H51NO15
Molecular Weight	797.8
XLogP	3.3
Topological Polar Surface Area	217
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	9
Heavy Atom Count	57
Formal Charge	0
Complexity	1510

SMILES

C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@]([C@@H](C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)C(=O)OC)(C)O)N(C)C)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O

InChI

InChI=1S/C41H51NO15/c1-17-24(43)11-12-28(52-17)56-39-19(3)54-30(15-26(39)45)57-38-18(2)53-29(14-23(38)42(5)6)55-27-16-41(4,50)34(40(49)51-7)21-13-22-33(37(48)32(21)27)36(47)31-20(35(22)46)9-8-10-25(31)44/h8-10,13,17-19,23,26-30,34,38-39,44-45,48,50H,11-12,14-16H2,1-7H3/t17-,18+,19+,23+,26+,27-,28-,29-,30-,34-,38-,39-,41+/m0/s1

InChIKey

UFVSOHSXEJJBKL-NODMTQFTSA-N

Chemical Structure

2D Structure

CAS: 78173-92-9

CID: 139589085

Formula: C41H51NO15

MW: 797.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	797.8
XLogP3	3.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	9
Exact Mass	797.32586992
Monoisotopic Mass	797.32586992
Topological Polar Surface Area	217 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1510
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N13894	Auramycin A
HY-N13895	Auramycin B

Auramycin A

Chemical Information

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