CAS Number
Molecular Formula
C55H68N9O23S.Na
Product format
Neat
Molecular Weight
1255.25 22.99
API Family
Synonyms
Micafungin Serine Analog; HH4Y7CE7BF; 1392514-04-3; Micafungin Sodium serine analog; Pneumocandin A0, 1-[(4R, 5R)-4, 5-dihydroxy-N2-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-ornithine]-2-L-serine-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-, sodium salt (1:1); Sodium 1-[(4R, 5R)-4 and 5-Dihydroxy-N2-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-ornithine]-2-L-serine-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, 20R, 21R, 24S, 25S, 26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11, 20, 21, 25-tetrahydroxy-15-(hydroxymethyl)-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/C55H69N9O23S.Na/c1-3-4-5-16-85-31-13-10-27(11-14-31)39-20-32(62-86-39)26-6-8-28(9-7-26)48(74)57-33-19-38(69)51(77)61-53(79)44-45(71)25(2)22-64(44)55(81)42(37(68)21-41(56)70)59-52(78)43(47(73)46(72)29-12-15-36(67)40(17-29)87-88(82,83)84)60-50(76)35-18-30(66)23-63(35)54(80)34(24-65)58-49(33)75;/h6-15,17,20,25,30,33-35,37-38,42-47,51,65-69,71-73,77H,3-5,16,18-19,21-24H2,1-2H3,(H2,56,70)(H,57,74)(H,58,75)(H,59,78)(H,60,76)(H,61,79)(H,82,83,84);/q;+1/p-1/t25-,30+,33-,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,51+;/m0./s1
