Cas no 930287-49-3 (Erythromycin, 6-O-methyl-, 9-(O-2-pyrimidinyloxime), (9E)-)

Erythromycin, 6-O-methyl-, 9-(O-2-pyrimidinyloxime), (9E)- structure
930287-49-3 structure
Product Name:Erythromycin, 6-O-methyl-, 9-(O-2-pyrimidinyloxime), (9E)-
CAS No:930287-49-3
MF:C42H72N4O13
MW:841.040093421936
CID:6642590
Update Time:2024-01-29

Erythromycin, 6-O-methyl-, 9-(O-2-pyrimidinyloxime), (9E)- Chemical and Physical Properties

Names and Identifiers

    • Erythromycin, 6-O-methyl-, 9-(O-2-pyrimidinyloxime), (9E)-
    • Inchi: 1S/C42H72N4O13/c1-15-29-42(10,51)34(48)24(4)31(45-59-39-43-17-16-18-44-39)22(2)20-41(9,53-14)36(58-38-32(47)28(46(11)12)19-23(3)54-38)25(5)33(26(6)37(50)56-29)57-30-21-40(8,52-13)35(49)27(7)55-30/h16-18,22-30,32-36,38,47-49,51H,15,19-21H2,1-14H3/b45-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,40-,41-,42-/m1/s1
    • InChI Key: JKCQNURBIIQLJY-XFAINOEBSA-N
    • SMILES: O([C@@H]1O[C@@H](C[C@@H]([C@H]1O)N(C)C)C)[C@@H]1[C@H]([C@@H]([C@H](C(O[C@@H]([C@]([C@@H]([C@H](/C(/[C@@H](C[C@@]1(C)OC)C)=N/OC1=NC=CC=N1)C)O)(O)C)CC)=O)C)O[C@@H]1O[C@H]([C@@H]([C@](C1)(C)OC)O)C)C

Experimental Properties

  • Density: 1.27±0.1 g/cm3(Predicted)
  • Boiling Point: 883.9±75.0 °C(Predicted)
  • pka: 12.87±0.70(Predicted)

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