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Primycin

CAT: 0013-GTR19255785-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255785-01Size:50 mg
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Description
Primycin is a macrolide antibiotic effective against Gram-positive bacteria, mycobacteria, and protozoa.
CAS Number
47917-41-9
Field of Research
Infectious Disease & Virology
Smiles
O=C1OC (C (C=C (C) CCCCC (O) CC (O) CC (O) CC (O) CC (O) C (OC2OC (CO) C (O) C2O) C=C (C) C (O) CCCC (O) CCCC (O) CCC (C) C (O) C1CCCC) C) C (C) C (O) CCCNC (=N) N
Molecular Formula
C55H103N3O17
Molecular Weight
1078.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Unii-M3Y14N50DX
CAS Number47917-41-9
PubChem CID13753772
IUPAC Name2-[5-[(4E,20E)-35-butyl-19-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,12,14,16,18,22,26,30,34-nonahydroxy-3,5,21,33-tetramethyl-36-oxo-1-oxacyclohexatriaconta-4,20-dien-2-yl]-4-hydroxyhexyl]guanidine
Molecular FormulaC55H103N3O17
Molecular Weight1078.4
XLogP2.4
Topological Polar Surface Area372
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count12
Heavy Atom Count75
Formal Charge0
Complexity1640
SMILES
CCCCC1C(C(CCC(CCCC(CCCC(/C(=C/C(C(CC(CC(CC(CC(CCCC/C(=C/C(C(OC1=O)C(C)C(CCCN=C(N)N)O)C)/C)O)O)O)O)O)OC2C(C(C(O2)CO)O)O)/C)O)O)O)C)O
InChI
InChI=1S/C55H103N3O17/c1-7-8-19-43-49(69)33(3)22-23-38(61)17-11-16-37(60)18-12-20-44(66)34(4)26-47(73-54-51(71)50(70)48(31-59)74-54)46(68)30-42(65)29-41(64)28-40(63)27-39(62)15-10-9-14-32(2)25-35(5)52(75-53(43)72)36(6)45(67)21-13-24-58-55(56)57/h25-26,33,35-52,54,59-71H,7-24,27-31H2,1-6H3,(H4,56,57,58)/b32-25+,34-26+
InChIKey
NYWSLZMTZNODJM-IWCJHPQDSA-N
Chemical Structure
2D Structure
2D structure of Unii-M3Y14N50DX
CAS: 47917-41-9
CID: 13753772
Formula: C55H103N3O17
MW: 1078.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1078.4
XLogP32.4
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count12
Exact Mass1077.72874883
Monoisotopic Mass1077.72874883
Topological Polar Surface Area372 Ų
Heavy Atom Count75
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count20
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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