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Pyralomicin 2b

CAT: 0013-GTR19256070-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256070-02Size:50 mg
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Description
Pyralomicin 2b is an antibiotic with antibacterial activity.
CAS Number
139635-97-5
Field of Research
Infectious Disease & Virology
Smiles
ClC=1N (C2=C (C (=O) C=3C (O2) =C (C) C=C (Cl) C3O) C1) [C@@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O
Molecular Formula
C18H17Cl2NO8
Molecular Weight
446.235
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyralomicin 2c

Pyralomicin 2c is a N-glycosyl compound.

CAS Number139635-97-5
PubChem CID10527339
IUPAC Name2,6-dichloro-5-hydroxy-8-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromeno[2,3-b]pyrrol-4-one
Molecular FormulaC18H17Cl2NO8
Molecular Weight446.2
XLogP2
Topological Polar Surface Area142
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity643
SMILES
CC1=CC(=C(C2=C1OC3=C(C2=O)C=C(N3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl)O)Cl
InChI
InChI=1S/C18H17Cl2NO8/c1-5-2-7(19)12(24)10-11(23)6-3-9(20)21(17(6)29-16(5)10)18-15(27)14(26)13(25)8(4-22)28-18/h2-3,8,13-15,18,22,24-27H,4H2,1H3/t8-,13-,14+,15-,18-/m1/s1
InChIKey
GJZWQCRFWFXIHE-JJZKNBJTSA-N
Chemical Structure
2D Structure
2D structure of Pyralomicin 2c
CAS: 139635-97-5
CID: 10527339
Formula: C18H17Cl2NO8
MW: 446.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.2
XLogP32
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass445.0331219
Monoisotopic Mass445.0331219
Topological Polar Surface Area142 Ų
Heavy Atom Count29
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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