Name: E7766 disodium
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT218964397
Cas No:2242636-28-6
常用名:E7766 disodium
IUPAC:disodium [(1R,3R,15Z,28R,29R,30R,31R,34S,36R,39R,41R)-29,41-difluoro-34,39-dioxo-39-sulfanidyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34lambda5,39lambda5-diphosphaoctacyclo[28.6.4.1^{3,36}.1^{28,31}.0^{4,8}.0^{7,12}.0^{19,24}.0^{23,27}]dotetraconta-5,7(12),8,10,15,19(24),20,22,25-nonaen-34-yl]sulfanide
IUPAC:disodium [(1R,3R,15Z,28R,29R,30R,31R,34S,36R,39R,41R)-29,41-difluoro-34,39-dioxo-39-sulfanidyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34lambda5,39lambda5-diphosphaoctacyclo[28.6.4.1^{3,36}.1^{28,31}.0^{4,8}.0^{7,12}.0^{19,24}.0^{23,27}]dotetraconta-5,7(12),8,10,15,19(24),20,22,25-nonaen-34-yl]sulfanide
InChI key:XZCSQHNSDGSUJR-BQLUONILSA-L

分子式:C24H24F2N10Na2O8P2S2
分子量:790.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].F[C@H]1[C@H]2O[C@@H]3CO[P@]([S-])(=O)O[C@@H]4[C@@H](CO[P@@]([S-])(=O)O[C@@H]13)O[C@H]([C@@H]4F)n1cnc3c(NC\C=C/CNc4ncnc5n2cnc45)ncnc13
SMILES:[Na+].[Na+].F[C@H]1[C@H]2O[C@@H]3CO[P@]([S-])(=O)O[C@@H]4[C@@H](CO[P@@]([S-])(=O)O[C@@H]13)O[C@H]([C@@H]4F)n1cnc3c(NC\C=C/CNc4ncnc5n2cnc45)ncnc13

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