11121-32-7
MEPARTRICIN
Name
MEPARTRICIN
Formula
C59 H86 N2 O19
MolWeight
1127.32
1Identification
【Name】
MEPARTRICIN
【CAS】
【MDL】
MFCD00070325
【English Synonyms】
【Formula】
C59 H86 N2 O19
【MolWeight】
1127.32
【Inchi】
InChI=1S/C59H86N2O19/c1-35-17-15-13-11-9-7-5-6-8-10-12-14-16-18-47(78-58-55(73)53(61)54(72)37(3)77-58)32-50-52(57(74)76-4)49(70)34-59(75,80-50)33-46(68)29-44(66)27-42(64)25-41(63)26-43(65)28-45(67)31-51(71)79-56(35)36(2)19-24-40(62)30-48(69)38-20-22-39(60)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,62-64,66-68,70,72-73,75H,19,24-34,60-61H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t35?,36?,37-,40?,41?,42?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58+,59?/m1/s1
【InChIKey】
InChIKey=GIDIUOCSTCGLRW-QJSPMWJNSA-N
【SMILES】
CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)c3ccc(cc3)N)O)O)O)O)O)O)O)O)C(=O)OC)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:12
H bond acceptor:21
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
MEPARTRICIN.cml
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