Solithromycin

CAT: 0127-BUP09818-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09818-02Size:5 mg

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CAS Number

760981-83-7

Synonyms

OP-1068, CEM-101

Purity

=98%

Smiles

CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(nn3)-c3cccc(N)c3)C(=O)O[C@]12C)OC

Chemical Information

Solithromycin

Solithromycin is an aminoglycoside.

CAS Number	760981-83-7
PubChem CID	25242512
IUPAC Name	(1S,2R,5S,7R,8R,9R,11R,13R,14R)-15-[4-[4-(3-aminophenyl)triazol-1-yl]butyl]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Molecular Formula	C43H65FN6O10
Molecular Weight	845.0
XLogP	4.3
Topological Polar Surface Area	198
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	11
Heavy Atom Count	60
Formal Charge	0
Complexity	1530

SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=N4)C5=CC(=CC=C5)N)C

InChI

InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1

InChIKey

IXXFZUPTQVDPPK-ZAWHAJPISA-N

Chemical Structure

2D Structure

CAS: 760981-83-7

CID: 25242512

Formula: C43H65FN6O10

MW: 845.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	845.0
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	11
Exact Mass	844.47462045
Monoisotopic Mass	844.47462045
Topological Polar Surface Area	198 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1530
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
B5918-5	Solithromycin

Solithromycin

Chemical Information

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