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Actamycin

CAT: 0931-TN9018-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9018-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76045-67-5
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Actamycin is an ansamycin-class antibiotic (antibiotic) known for its antibacterial properties.
Smiles
CCC(C)C(O)=O
Molecular Formula
C39H45NO10
Molecular Weight
687.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Actamycin

Actamycin is a naphthoquinone.

CAS Number76045-67-5
PubChem CID122362153
IUPAC Name(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone
Molecular FormulaC39H45NO10
Molecular Weight687.8
XLogP4.3
Topological Polar Surface Area199
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count50
Formal Charge0
Complexity1540
SMILES
C[C@H]1/C=C/C=C\C=C/C(=O)NC2=C(C3=C(C(=C(C(=C3)C)O)C(=O)/C(=C/[C@@H]([C@H]([C@H](/C=C/[C@H](C/C=C(/C(=O)C[C@@H]1O)\C)O)C)O)C)/C)C(=O)C2=O)O
InChI
InChI=1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9+,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,34-/m0/s1
InChIKey
VMGZUMXAOXKLLT-LJEDEYOISA-N
Chemical Structure
2D Structure
2D structure of Actamycin
CAS: 76045-67-5
CID: 122362153
Formula: C39H45NO10
MW: 687.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.8
XLogP34.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass687.30434663
Monoisotopic Mass687.30434663
Topological Polar Surface Area199 Ų
Heavy Atom Count50
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19248524-01Actamycin

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