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Pyralomicin 2a

CAT: 0013-GTR19256060-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256060-02Size:10 mg
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Description
Pyralomicin 2a is an antibiotic with antibacterial properties.
CAS Number
139636-00-3
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] (OC) [C@H] (O) [C@H]4O
Molecular Formula
C19H19Cl2NO8
Molecular Weight
460.262
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyralomicin 2a

Pyralomicin 2a is a member of chromones.

CAS Number139636-00-3
PubChem CID3072005
IUPAC Name2,6-dichloro-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one
Molecular FormulaC19H19Cl2NO8
Molecular Weight460.3
XLogP1.9
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity658
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)OC)O)O)Cl)O)Cl
InChI
InChI=1S/C19H19Cl2NO8/c1-6-3-8(20)13(25)11-12(24)7-4-10(21)22(18(7)30-16(6)11)19-15(27)14(26)17(28-2)9(5-23)29-19/h3-4,9,14-15,17,19,23,25-27H,5H2,1-2H3/t9-,14-,15-,17-,19-/m1/s1
InChIKey
ZXYNPGZWOMFXHV-JUTSKPLTSA-N
Chemical Structure
2D Structure
2D structure of Pyralomicin 2a
CAS: 139636-00-3
CID: 3072005
Formula: C19H19Cl2NO8
MW: 460.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.3
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass459.0487720
Monoisotopic Mass459.0487720
Topological Polar Surface Area131 Ų
Heavy Atom Count30
Formal Charge0
Complexity658
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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