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Deltamycin A1

CAT: 0931-T25303-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25303-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58880-22-1
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Deltamycin A1 is a novel macrolide antibiotic.
Smiles
COC1C(CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(C)=O)C(C)O2)C(C1O)N(C)C)OC(C)=O
Molecular Formula
C39H61NO16
Molecular Weight
799.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3,4B-diacetate, (12S,13S)-
CAS Number58880-22-1
PubChem CID6446048
IUPAC Name[(14E)-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
Molecular FormulaC39H61NO16
Molecular Weight799.9
XLogP0.6
Topological Polar Surface Area215
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Heavy Atom Count56
Formal Charge0
Complexity1410
SMILES
CC1CC(C(C(C(CC(=O)OC(CC2C(O2)/C=C/C1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O
InChI
InChI=1S/C39H61NO16/c1-19-15-25(13-14-41)35(36(48-10)29(52-23(5)42)17-30(45)49-20(2)16-28-27(54-28)12-11-26(19)44)56-38-33(46)32(40(8)9)34(21(3)51-38)55-31-18-39(7,47)37(22(4)50-31)53-24(6)43/h11-12,14,19-22,25,27-29,31-38,46-47H,13,15-18H2,1-10H3/b12-11+
InChIKey
BSLHJKFVBDZBEO-VAWYXSNFSA-N
Chemical Structure
2D Structure
2D structure of Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3,4B-diacetate, (12S,13S)-
CAS: 58880-22-1
CID: 6446048
Formula: C39H61NO16
MW: 799.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight799.9
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Exact Mass799.39903486
Monoisotopic Mass799.39903486
Topological Polar Surface Area215 Ų
Heavy Atom Count56
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count17
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-129788Deltamycin A1

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