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Phoslactomycin D

CAT: 0931-TN9847-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9847-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
122856-28-4
Target
Antifungal, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Phoslactomycin D exhibits relatively weak activity against Gram-positive bacteria but has a stronger effect on fungi.
Smiles
[C@H]([C@](/C=C/[C@H]1[C@@H](CC)C=CC(=O)O1)(CCN)O)(C[C@H](/C=C\C=C/[C@H]2C[C@@H](OC(CCC(C)C)=O)CCC2)O)OP(=O)(O)O
Molecular Formula
C31H50NO10P
Molecular Weight
627.703
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phoslactomycin D

Phoslactomycin D has been reported in Streptomyces platensis with data available.

CAS Number122856-28-4
PubChem CID6439131
IUPAC Name[3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate
Molecular FormulaC31H50NO10P
Molecular Weight627.7
XLogP0.2
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count43
Formal Charge0
Complexity1050
SMILES
CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)CCC(C)C)O)OP(=O)(O)O)O
InChI
InChI=1S/C31H50NO10P/c1-4-24-13-15-30(35)41-27(24)16-17-31(36,18-19-32)28(42-43(37,38)39)21-25(33)10-6-5-8-23-9-7-11-26(20-23)40-29(34)14-12-22(2)3/h5-6,8,10,13,15-17,22-28,33,36H,4,7,9,11-12,14,18-21,32H2,1-3H3,(H2,37,38,39)/b8-5+,10-6+,17-16+
InChIKey
AAYSLXZWMOLRDM-NAOUFDFXSA-N
Chemical Structure
2D Structure
2D structure of Phoslactomycin D
CAS: 122856-28-4
CID: 6439131
Formula: C31H50NO10P
MW: 627.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight627.7
XLogP30.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass627.31723379
Monoisotopic Mass627.31723379
Topological Polar Surface Area186 Ų
Heavy Atom Count43
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes