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Fridamycin E

CAT: 0498-bs-75793C-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75793C-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116120-54-8
Conjugation
Unconjugated
Purity
>98% (HPLC, NMR)
Buffer
Crystals
Solubility
Soluble in DMSO. Sparingly soluble in methanol or acetone.
Smiles
C[C@](O)(CC(O)=O)CC1=C(O)C2=C(C=C1)C(=O)C1=C(C=CC=C1O)C2=O
Molecular Formula
C19H16O7
Molecular Weight
356.3
Storage Conditions
Stable for 1 year after receipt when stored at -20°C. Store solutions at -20°C in the dark.
Appearance
Yellow to orange crystals.

Chemical Information

Fridamycin E

Fridamycin E is an anthraquinone.

CAS Number116120-54-8
PubChem CID443847
IUPAC Name(3R)-4-(1,5-dihydroxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methylbutanoic acid
Molecular FormulaC19H16O7
Molecular Weight356.3
XLogP2.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity603
SMILES
C[C@@](CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3O)O)(CC(=O)O)O
InChI
InChI=1S/C19H16O7/c1-19(26,8-13(21)22)7-9-5-6-11-15(16(9)23)18(25)10-3-2-4-12(20)14(10)17(11)24/h2-6,20,23,26H,7-8H2,1H3,(H,21,22)/t19-/m1/s1
InChIKey
MVEDBMGRQONWSQ-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Fridamycin E
CAS: 116120-54-8
CID: 443847
Formula: C19H16O7
MW: 356.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.3
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass356.08960285
Monoisotopic Mass356.08960285
Topological Polar Surface Area132 Ų
Heavy Atom Count26
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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