959745-88-1
ETHYL (1S*,2R*,3S*,5R*)-2-(TERT-BUTOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE
NameETHYL (1S*,2R*,3S*,5R*)-2-(TERT-BUTOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE
1Identification
【Name】
ETHYL (1S*,2R*,3S*,5R*)-2-(TERT-BUTOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD09881429
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H21 N O5
【pro_molWeight】
271.311
【Inchi】
InChI=1S/C13H21NO5/c1-5-17-11(15)7-6-8-10(18-8)9(7)14-12(16)19-13(2,3)4/h7-10H,5-6H2,1-4H3,(H,14,16)/t7-,8+,9+,10+/m0/s1
【InChIKey】
InChIKey=BVJJICVWJDHURF-SGIHWFKDSA-N
【SMILES】
CCOC(=O)[C@H]1C[C@@H]2[C@H]([C@@H]1NC(=O)OC(C)(C)C)O2
【MOL File】
ETHYL (1S*,2R*,3S*,5….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL (1S*,2R*,3S*,5R*)-2-(TERT-BUTOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE.cml