171808-03-0 (SN-1,2-二辛酰基甘油,4’-Desmethyl-6’-tosylmycophenolic Acid)

CAS号:
171808-03-0
中文名称:
SN-1,2-二辛酰基甘油
英文名称:
4’-Desmethyl-6’-tosylmycophenolic Acid
分子式:
C23H24O8S
分子量:
460.496866226196

SN-1,2-二辛酰基甘油(171808-03-0)名称与标识符

名称

中文别名:
4’-去甲基-6’-对甲苯磺酰基霉酚酸;SN-1,2-二辛酰基甘油;
英文别名:
4’-Desmethyl-6’-tosylmycophenolic Acid;(4E)-6-(6-Hydroxy-7-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}-3-ox o-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoic acid;4'-DESMETHYL-6'-TOSYLMYCOPHENOLIC ACID;(E)-6-[1,3-Dihydro-6-hydroxy-7-Methyl-4-[[(4-Methylphenyl)sulfonyl]oxy]-3-oxo-5-isobenzofuranyl]-4-Methyl-4-hexenoic Acid;

标识符

InChIKey:
ATGXPGLZKZKOOJ-MKMNVTDBSA-N
Inchi:
1S/C23H24O8S/c1-13-4-8-16(9-5-13)32(28,29)31-22-17(10-6-14(2)7-11-19(24)25)21(26)15(3)18-12-30-23(27)20(18)22/h4-6,8-9,26H,7,10-12H2,1-3H3,(H,24,25)/b14-6+
SMILES:
S(C1C=CC(C)=CC=1)(=O)(=O)OC1=C(C/C=C(\C)/CCC(=O)O)C(=C(C)C2COC(C=21)=O)O

SN-1,2-二辛酰基甘油(171808-03-0)物化性质

实验特性

  • LogP : 4.88150
  • PSA : 135.58000

计算特性

  • 精确分子量 : 460.11900