Products for Research Use Only

Phoslactomycin B

CAT: 0013-GTR19255597-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255597-01Size:50 mg
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Description
Phoslactomycin B exhibits relatively weak activity against Gram-positive bacteria but demonstrates stronger activity against fungi.
CAS Number
122856-26-2
Field of Research
Infectious Disease & Virology
Smiles
[C@] ([C@@H] (C[C@H] (/C=C\C=C/C1CCCCC1) O) OP (=O) (O) O) (/C=C/[C@H]2[C@@H] (CC) C=CC (=O) O2) (CCN) O
Molecular Formula
C25H40NO8P
Molecular Weight
513.561
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phoslactomycin B

Phoslactomycin B is a member of 2-pyranones.

CAS Number122856-26-2
PubChem CID11497184
IUPAC Name[(1E,3R,4R,6R,7Z,9Z)-3-(2-aminoethyl)-10-cyclohexyl-1-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate
Molecular FormulaC25H40NO8P
Molecular Weight513.6
XLogP-0.3
Topological Polar Surface Area160
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity829
SMILES
CC[C@H]1C=CC(=O)O[C@H]1/C=C/[C@](CCN)([C@@H](C[C@H](/C=C\C=C/C2CCCCC2)O)OP(=O)(O)O)O
InChI
InChI=1S/C25H40NO8P/c1-2-20-12-13-24(28)33-22(20)14-15-25(29,16-17-26)23(34-35(30,31)32)18-21(27)11-7-6-10-19-8-4-3-5-9-19/h6-7,10-15,19-23,27,29H,2-5,8-9,16-18,26H2,1H3,(H2,30,31,32)/b10-6-,11-7-,15-14+/t20-,21-,22-,23+,25-/m0/s1
InChIKey
GAIPQMSJLNWRGC-MZAVDHTQSA-N
Chemical Structure
2D Structure
2D structure of Phoslactomycin B
CAS: 122856-26-2
CID: 11497184
Formula: C25H40NO8P
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP3-0.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass513.24915423
Monoisotopic Mass513.24915423
Topological Polar Surface Area160 Ų
Heavy Atom Count35
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes