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Tomaymycin

CAT: 0013-GTR19220417-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220417-01Size:5 mg
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Description
Tomaymycin is a small molecule antibiotic with antitumor properties and activity against Gram-positive bacteria. It is used in research to study its mechanism of action and cytotoxic effects in both in vitro assays and in vivo experimental models.
CAS Number
35050-55-6
Field of Research
Infectious Disease & Virology
Smiles
O=C1N2[C@] ([C@@H] (OC) NC=3C1=CC (OC) =C (O) C3) (C/C (=C\C) /C2) [H]
Molecular Formula
C16H20N2O4
Molecular Weight
304.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tomaymycin

(E)-tomaymycin is the (E)-isomer of tomaymycin.

CAS Number35050-55-6
PubChem CID12444381
IUPAC Name(6R,6aS,8E)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular FormulaC16H20N2O4
Molecular Weight304.34
XLogP1.4
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity467
SMILES
C/C=C/1\C[C@H]2[C@H](NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC
InChI
InChI=1S/C16H20N2O4/c1-4-9-5-12-15(22-3)17-11-7-13(19)14(21-2)6-10(11)16(20)18(12)8-9/h4,6-7,12,15,17,19H,5,8H2,1-3H3/b9-4+/t12-,15+/m0/s1
InChIKey
UQVNRKBFAXNOGA-LWTNMJDUSA-N
Chemical Structure
2D Structure
2D structure of Tomaymycin
CAS: 35050-55-6
CID: 12444381
Formula: C16H20N2O4
MW: 304.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.34
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass304.14230712
Monoisotopic Mass304.14230712
Topological Polar Surface Area71 Ų
Heavy Atom Count22
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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