115250-38-9
(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE
Name(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE
1Identification
【Name】
(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE
【CAS】
【MDL】
MFCD09838991
【English Synonyms】
【Formula】
C35 H36 O6
【MolWeight】
552.663
【Inchi】
InChI=1S/C35H36O6/c36-31-21-35(37,26-38-22-27-13-5-1-6-14-27)34(41-25-30-19-11-4-12-20-30)33(40-24-29-17-9-3-10-18-29)32(31)39-23-28-15-7-2-8-16-28/h1-20,32-34,37H,21-26H2/t32-,33+,34-,35-/m0/s1
【InChIKey】
InChIKey=JWXHKWBUBUUEFP-SNSGHMKVSA-N
【SMILES】
c1ccc(cc1)COC[C@]2(CC(=O)[C@@H]([C@H]([C@@H]2OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)O
【MOL File】
(2R,3S,4S,5S)-5-HYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE.cml