947401-26-5
ALOC-D-ORN(BOC)-OH DCHA
NameALOC-D-ORN(BOC)-OH DCHA
FormulaC14 H24 N2 O6 . C12 H23 N
1Identification
【Name】
ALOC-D-ORN(BOC)-OH DCHA
【CAS】
【MDL】
MFCD03093486
【English Synonyms】
【Formula】
C14 H24 N2 O6 . C12 H23 N
【MolWeight】
497.672
【Inchi】
InChI=1S/C14H24N2O6.C12H23N/c1-5-9-21-13(20)16-10(11(17)18)7-6-8-15-12(19)22-14(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,10H,1,6-9H2,2-4H3,(H,15,19)(H,16,20)(H,17,18);11-13H,1-10H2/t10-;/m1./s1
【InChIKey】
InChIKey=QVBIARYBONPERL-HNCPQSOCSA-N
【SMILES】
CC(C)(C)OC(=O)NCCC[C@H](C(=O)O)NC(=O)OCC=C.C1CCC(CC1)NC2CCCCC2
【MOL File】
ALOC-D-ORN(BOC)-OH D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALOC-D-ORN(BOC)-OH DCHA.cml