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Grahamimycin B

CAT: 0013-GTR19255640-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255640-02Size:50 mg
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Description
Grahamimycin B exhibits weak activity against Gram-positive bacteria, Gram-negative bacteria, cyanobacteria, and green algae.
CAS Number
883434-90-0
Field of Research
Infectious Disease & Virology
Smiles
C[C@@H]1C/C=C/C (=O) O[C@H] (C[C@H] (C (=O) C[C@H] (C (=O) O1) O) O) C
Molecular Formula
C14H20O7
Molecular Weight
300.304
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3E,6R,9R,12R,14S)-9,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
CAS Number883434-90-0
PubChem CID162941502
IUPAC Name(3E,6R,9R,12R,14S)-9,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
Molecular FormulaC14H20O7
Molecular Weight300.30
XLogP0.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity429
SMILES
C[C@@H]1C/C=C/C(=O)O[C@H](C[C@H](C(=O)C[C@H](C(=O)O1)O)O)C
InChI
InChI=1S/C14H20O7/c1-8-4-3-5-13(18)20-9(2)6-10(15)11(16)7-12(17)14(19)21-8/h3,5,8-10,12,15,17H,4,6-7H2,1-2H3/b5-3+/t8-,9+,10-,12-/m1/s1
InChIKey
UPKYFPVASUJJTL-KFQHZJPOSA-N
Chemical Structure
2D Structure
2D structure of (3E,6R,9R,12R,14S)-9,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
CAS: 883434-90-0
CID: 162941502
Formula: C14H20O7
MW: 300.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.30
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass300.12090297
Monoisotopic Mass300.12090297
Topological Polar Surface Area110 Ų
Heavy Atom Count21
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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