Ashimycin A

CAT: 0931-TN9038-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN9038-02Size:50 mg

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CAS Number

123482-11-1

Target

Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Ashimycin A is an analog of Streptomycin with broad-spectrum antibacterial activity.

Smiles

O=CC1(O)C(OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C1OC3OC(CO)C(OC4OC(CO)C(O)C4(O)C(=O)O)C(O)C3NC)C

Molecular Formula

C27H47N7O18

Molecular Weight

757.698

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ashimycin A

Ashimycin A is a glycoside and an amino cyclitol.

CAS Number	123482-11-1
PubChem CID	139588943
IUPAC Name	(2R,3S,4R,5R)-2-[(2S,3R,4S,5S,6R)-6-[(2S,3S,4R,5S)-2-[(1S,2S,3R,4R,5R,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolane-3-carboxylic acid
Molecular Formula	C27H47N7O18
Molecular Weight	757.7
XLogP	-12.4
Topological Polar Surface Area	433
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	13
Heavy Atom Count	52
Formal Charge	0
Complexity	1330

SMILES

C[C@H]1[C@@]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@@H]4[C@@]([C@@H]([C@H](O4)CO)O)(C(=O)O)O)O)NC)(C=O)O

InChI

InChI=1S/C27H47N7O18/c1-6-26(45,5-37)19(21(47-6)50-17-10(34-25(30)31)12(38)9(33-24(28)29)13(39)15(17)41)52-20-11(32-2)14(40)16(7(3-35)48-20)51-23-27(46,22(43)44)18(42)8(4-36)49-23/h5-21,23,32,35-36,38-42,45-46H,3-4H2,1-2H3,(H,43,44)(H4,28,29,33)(H4,30,31,34)/t6-,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-,17-,18+,19+,20+,21+,23+,26+,27+/m0/s1

InChIKey

ILBIJYYHQHTSRJ-BYPLPWHCSA-N

Chemical Structure

2D Structure

CAS: 123482-11-1

CID: 139588943

Formula: C27H47N7O18

MW: 757.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	757.7
XLogP3	-12.4
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	13
Exact Mass	757.29775768
Monoisotopic Mass	757.29775768
Topological Polar Surface Area	433 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
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
GTR19248502-01	Ashimycin A
HY-N14170	Ashimycin B

Ashimycin A

Chemical Information

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