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Awamycin

CAT: 0931-T89105-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T89105-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87913-35-7
Bioactivity
Awamycin is an antitumor antibiotic.
Smiles
O=C1NC=2C(=O)C=3C(O)=C(C(OC)=C(C(=O)C(=CC(C)C(O)C(C)C(O)C(C(=O)OC)C(O)C(C)C(O)C(C=CC=C1C)C)C)C3C(=O)C2SC)C
Molecular Formula
C38H49NO12S
Molecular Weight
743.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Awamycin

Awamycin is a keratan 6'-sulfate and an azamacrocycle.

CAS Number87913-35-7
PubChem CID6441157
IUPAC Namemethyl (7Z,18E,20Z)-2,10,12,14,16-pentahydroxy-4-methoxy-3,7,9,11,15,17,21-heptamethyl-25-methylsulfanyl-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-13-carboxylate
Molecular FormulaC38H49NO12S
Molecular Weight743.9
XLogP4.4
Topological Polar Surface Area242
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity1520
SMILES
CC1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C(=C3C(=O)/C(=C\C(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)C)/C)OC)C)O)SC)/C
InChI
InChI=1S/C38H49NO12S/c1-15-12-11-13-16(2)37(48)39-26-33(46)23-22(34(47)36(26)52-10)24(35(50-8)21(7)32(23)45)29(42)18(4)14-17(3)28(41)20(6)31(44)25(38(49)51-9)30(43)19(5)27(15)40/h11-15,17,19-20,25,27-28,30-31,40-41,43-45H,1-10H3,(H,39,48)/b12-11+,16-13-,18-14-
InChIKey
WZCNXFSCUFEMGW-UMLOSGLNSA-N
Chemical Structure
2D Structure
2D structure of Awamycin
CAS: 87913-35-7
CID: 6441157
Formula: C38H49NO12S
MW: 743.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight743.9
XLogP34.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass743.29754717
Monoisotopic Mass743.29754717
Topological Polar Surface Area242 Ų
Heavy Atom Count52
Formal Charge0
Complexity1520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-129312Awamycin

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