CAS Number
Molecular Formula
C56H70N9O22S.Na
Product format
Neat
Molecular Weight
1253.28 22.99
API Family
Synonyms
1392514-06-5; Deoxy micafungin; Micafungin Impurity E Sodium salt; Micafungin Impurity 20; Deshydroxy Micafungin Sodium; TWH9427V2P; SCHEMBL20987112; Pneumocandin A0, 1-[(5R)-5-hydroxy-N2-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-, sodium salt; Pneumocandin A0, 1-[(5R)-5-hydroxy-N2-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]- and sodium salt (1:1); Sodium 1-[(5R)-5-Hydroxy-N2-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]pneumocandin A0
Iupac Name
sodium [5-[(1S, 2S)-2-[(3S, 6S, 9S, 11R, 15S, 18S, 21R, 24S, 25S, 26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11, 21, 25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2, 5, 8, 14, 17, 23-hexaoxo-18-[[4-[5-(4-pentoxyphenyl)-1, 2-oxazol-3-yl]benzoyl]amino]-1, 4, 7, 13, 16, 22-hexazatricyclo[22.3.0.09, 13]heptacosan-6-yl]-1 and 2-dihydroxyethyl]-2-hydroxyphenyl] sulfate
InChI
InChI=1S/C56H71N9O22S.Na/c1-4-5-6-19-85-33-14-11-29(12-15-33)39-22-35(63-86-39)28-7-9-30(10-8-28)50(75)58-34-16-18-42(71)59-54(79)46-47(72)26(2)24-65(46)56(81)44(38(69)23-41(57)70)61-53(78)45(49(74)48(73)31-13-17-37(68)40(20-31)87-88(82,83)84)62-52(77)36-21-32(67)25-64(36)55(80)43(27(3)66)60-51(34)76;/h7-15,17,20,22,26-27,32,34,36,38,42-49,66-69,71-74H,4-6,16,18-19,21,23-25H2,1-3H3,(H2,57,70)(H,58,75)(H,59,79)(H,60,76)(H,61,78)(H,62,77)(H,82,83,84);/q;+1/p-1/t26-,27+,32+,34-,36-,38+,42+,43-,44-,45-,46-,47-,48-,49-;/m0./s1
