Sporeamicin A

CAT: 0013-GTR19199201-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19199201-03Size:50 mg

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Description

Sporeamicin A is a novel macrolide antibiotic isolated from Saccharopolyspora species. This compound is a valuable research tool for investigating antibiotic mechanisms and conducting in vitro studies against susceptible bacterial strains.

CAS Number

131418-65-0

Smiles

C[C@]12[C@@H] (CC) OC (=O) [C@H] (C) [C@@H] (O[C@H]3C[C@] (OC) (C) [C@@H] (O) [C@H] (C) O3) [C@H] (C) [C@@H] (O[C@H]4[C@H] (O) [C@@H] (N (C) C) C[C@@H] (C) O4) [C@] (C) (O) C[C@@H] (C) C (O1) =C (C) C2=O

Molecular Formula

C37H63NO12

Molecular Weight

713.90

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Sporeamicin A

structure given in first source; isolated from Saccaropolyspora

CAS Number	131418-65-0
PubChem CID	23350305
IUPAC Name	(1R,2S,5R,6S,7S,11S)-8-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione
Molecular Formula	C37H63NO12
Molecular Weight	713.9
XLogP	4
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Heavy Atom Count	50
Formal Charge	0
Complexity	1260

SMILES

CC[C@H]1[C@@]2(C(=O)C(=C(O2)[C@H](CC(C([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](CC(O4)C)N(C)C)O)(C)O)C)C)C

InChI

InChI=1S/C37H63NO12/c1-14-25-37(10)30(40)20(4)28(50-37)18(2)16-35(8,43)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-36(9,44-13)31(41)23(7)46-26/h18-19,21-27,29,31-32,34,39,41,43H,14-17H2,1-13H3/t18-,19?,21-,22+,23-,24-,25-,26-,27+,29-,31-,32?,34-,35?,36+,37+/m0/s1

InChIKey

SZZIJYBWFJCYOX-SJCUUROJSA-N

Chemical Structure

2D Structure

CAS: 131418-65-0

CID: 23350305

Formula: C37H63NO12

MW: 713.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	713.9
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Exact Mass	713.43502644
Monoisotopic Mass	713.43502644
Topological Polar Surface Area	163 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1260
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5775940	Sporeamicin A

Sporeamicin A

Chemical Information

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