503314-21-4
B-D-GLUCOPYRANOSIDE, PHENYL 3,6-BIS-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE
Name
B-D-GLUCOPYRANOSIDE, PHENYL 3,6-BIS-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE
Formula
C33H32O6S
MolWeight
556.676
1Identification
【Name】
B-D-GLUCOPYRANOSIDE, PHENYL 3,6-BIS-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE
【CAS】
【MDL】
MFCD13182812
【English Synonyms】
【Formula】
C33H32O6S
【MolWeight】
556.676
【Inchi】
InChI=1S/C33H32O6S/c34-29-28(23-36-21-24-13-5-1-6-14-24)38-33(40-27-19-11-4-12-20-27)31(39-32(35)26-17-9-3-10-18-26)30(29)37-22-25-15-7-2-8-16-25/h1-20,28-31,33-34H,21-23H2/t28-,29-,30+,31-,33+/m1/s1
【InChIKey】
InChIKey=JNWVUEBFTKCWAW-PAGFLGSUSA-N
【SMILES】
O[C@@H]1[C@@H](COCC2=CC=CC=C2)O[C@@H](SC2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.4283
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
B-D-GLUCOPYRANOSIDE, PHENYL 3,6-BIS-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE.cml
Quick Release
L-VINYLGLYCINE
2149-70-4 ;70982-53-5
(S)-(+)-1-AMINOETHYLPHOSPHONIC ACID
66068-76-6
L-ASPARTIC ACID BETA-HYDROXAMATE
1955-68-6
L-AP3
23052-80-4
L-CYSTEIC ACID
498-40-8 ;23537-25-9 ;13100-82-8
2-HEXENEDIOIC ACID, 5-AMINO-, (2E,5S)-
443650-31-5
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L-AP3
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L-CYSTEIC ACID
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2-HEXENEDIOIC ACID, 5-AMINO-, (2E,5S)-
443650-31-5