850647-94-8
L-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 7-O-[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]-4,6-O-[(R)-(4-METHOXYPHENYL)METHYLENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-
NameL-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 7-O-[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]-4,6-O-[(R)-(4-METHOXYPHENYL)METHYLENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-
1Identification
【Name】
L-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 7-O-[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]-4,6-O-[(R)-(4-METHOXYPHENYL)METHYLENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-
【CAS】
【MDL】
MFCD13182666
【English Synonyms】
【Formula】
C51H54O7SSi
【MolWeight】
839.133
【Inchi】
InChI=1S/C51H54O7SSi/c1-51(2,3)60(42-26-16-8-17-27-42,43-28-18-9-19-29-43)55-36-44-45-47(57-49(56-44)39-30-32-40(52-4)33-31-39)46(53-34-37-20-10-5-11-21-37)48(54-35-38-22-12-6-13-23-38)50(58-45)59-41-24-14-7-15-25-41/h5-33,44-50H,34-36H2,1-4H3/t44-,45+,46-,47+,48-,49+,50+/m0/s1
【InChIKey】
InChIKey=GGQQEHWDOMJFNQ-ROFWLJFFSA-N
【SMILES】
[H][C@]12O[C@H](SC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@@H]1O[C@@H](O[C@H]2CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C1=CC=C(OC)C=C1
【MOL File】
L-GLYCERO-A-D-MANNO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:10.1619
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
L-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 7-O-[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]-4,6-O-[(R)-(4-METHOXYPHENYL)METHYLENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-.cml