Name: disodium {[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-7-isopropyl-1-methyl-17-oxo-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-en-8-yl]oxy}methyl phosphate
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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217662211
Cas No:1254702-87-8
常用名:disodium {[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-7-isopropyl-1-methyl-17-oxo-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-en-8-yl]oxy}methyl phosphate
常用名:disodium {[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-7-isopropyl-1-methyl-17-oxo-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-en-8-yl]oxy}methyl phosphate
IUPAC:disodium {[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-(propan-2-yl)-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-en-8-yl]oxy}methyl phosphate
IUPAC:disodium {[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-(propan-2-yl)-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-en-8-yl]oxy}methyl phosphate
InChI key:ZHBJMVNZRZUQEP-KIKMAQITSA-L

分子式:C21H25Na2O10P
分子量:514.374
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2OCOP([O-])([O-])=O
SMILES:[Na+].[Na+].CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2OCOP([O-])([O-])=O

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