基本的な属性 物理性質 GHS 生産企業

(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid 化学構造式

(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid

化学名:(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid

CAS番号.863971-44-2

英語名:(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid

CBNumberCB62715760

MFC36H51N3O7

MW637.81

MOL File863971-44-2.mol

(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid物理性質

沸点  793.0±60.0 °C(Predicted)
比重(密度)  1.144±0.06 g/cm3(Predicted)
溶解性 DMSO: ≥ 37 mg/mL (58.01 mM)
酸解離定数(Pka) 4.08±0.10(Predicted)
水溶解度  Water: < 0.1 mg/mL (insoluble)
InChIKey JDMOCVJBADMSJP-FCUBIXSHSA-N
SMILES C(NC(=O)[C@H](C(C)C)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C)(=O)[C@H](C(C)C)N([C@H]([C@H](OC)CC(O)=O)[C@@H](C)CC)C

危険有害性情報のコード(GHS)

(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid 生産企業