Auramycin B

CAT: 0931-TN9168-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN9168-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

78173-91-8

Target

Antibiotic, Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Auramycin B is an anthracycline antibiotic with notable antibacterial activity against Gram-positive bacteria. Additionally, Auramycin B exhibits antitumor properties in mouse models of P388 and L1210 leukemia.

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@]7([C@@]([C@H](C)O6)(O[C@]8([C@@](O7)(CC(=O)[C@H](C)O8)[H])[H])[H])[H])[C@H](C)O5

Molecular Formula

C41H49NO15

Molecular Weight

795.826

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Auramycin B

Auramycin B is an anthracycline.

CAS Number	78173-91-8
PubChem CID	155837
IUPAC Name	methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-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	C41H49NO15
Molecular Weight	795.8
XLogP	3.3
Topological Polar Surface Area	206
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Heavy Atom Count	57
Formal Charge	0
Complexity	1560

SMILES

C[C@H]1[C@@H]2[C@H](C[C@@H](O1)O[C@@H]3[C@@H](O[C@H](C[C@@H]3N(C)C)O[C@H]4C[C@@]([C@@H](C5=CC6=C(C(=C45)O)C(=O)C7=C(C6=O)C=CC=C7O)C(=O)OC)(C)O)C)O[C@H]8CC(=O)[C@@H](O[C@H]8O2)C

InChI

InChI=1S/C41H49NO15/c1-16-24(44)13-26-40(53-16)57-38-18(3)52-29(14-25(38)54-26)56-37-17(2)51-28(12-22(37)42(5)6)55-27-15-41(4,49)33(39(48)50-7)20-11-21-32(36(47)31(20)27)35(46)30-19(34(21)45)9-8-10-23(30)43/h8-11,16-18,22,25-29,33,37-38,40,43,47,49H,12-15H2,1-7H3/t16-,17-,18-,22-,25-,26-,27-,28-,29-,33-,37+,38+,40-,41+/m0/s1

InChIKey

PCGZUKQITWMLRC-RJFPJLDVSA-N

Chemical Structure

2D Structure

CAS: 78173-91-8

CID: 155837

Formula: C41H49NO15

MW: 795.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	795.8
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Exact Mass	795.31021986
Monoisotopic Mass	795.31021986
Topological Polar Surface Area	206 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1560
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Auramycin B

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