Cas no 154445-05-3 (pramanicin)

pramanicin structure
pramanicin structure
Product Name:pramanicin
CAS No:154445-05-3
MF:C19H31NO6
MW:369.452546358109
CID:167372
Update Time:2024-03-01

pramanicin Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrrolidinone,3,4-dihydroxy-5-(hydroxymethyl)-3-[(2E)-3-[(2R,3R)-3-nonyl-2-oxiranyl]-1-oxo-2-propen-1-yl]-,(3S,4S,5S)-
    • Pramanicin
    • (-)-Pramanicin
    • 2-Pyrrolidinone,3,4-dihydroxy-5-(hydroxymethyl)-3-[(2E)-3-[(2R,3R)-3-nonyloxiranyl]-1-oxo-2-propenyl]-,(3S,4S,5S)- (9CI)
    • 2-Pyrrolidinone,3,4-dihydroxy-5-(hydroxymethyl)-3-[3-(3-nonyloxiranyl)-1-oxo-2-propenyl]-, [3a,3[E(2R*,3R*)],4b,5a]-(-)-
    • CID 134715044
    • 2-Pyrrolidinone, 3,4-dihydroxy-5-(hydroxymethyl)-3-[(2E)-3-[(2R,3R)-3-nonyl-2-oxiranyl]-1-oxo-2-propen-1-yl]-, (3S,4S,5S)-
    • pramanicin
    • Inchi: 1S/C19H31NO6/c1-2-3-4-5-6-7-8-9-14-15(26-14)10-11-16(22)19(25)17(23)13(12-21)20-18(19)24/h10-11,13-15,17,21,23,25H,2-9,12H2,1H3,(H,20,24)/b11-10+/t13-,14+,15?,17-,19+/m0/s1
    • InChI Key: BOWRHOKHYKPEAR-BSYQFINISA-N
    • SMILES: O1C(/C=C/C([C@@]2(C(N[C@@H](CO)[C@@H]2O)=O)O)=O)[C@H]1CCCCCCCCC

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 12
  • Complexity: 522
  • Topological Polar Surface Area: 119

Experimental Properties

  • Color/Form: Cryst.
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