58214-53-2
2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL ISOTHIOCYANATE
Name2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL ISOTHIOCYANATE
1Identification
【Name】
2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL ISOTHIOCYANATE
【CAS】
【MDL】
MFCD03791088
【English Synonyms】
【Formula】
C27 H21 N O7 S
【MolWeight】
503.529
【Inchi】
InChI=1S/C27H21NO7S/c29-25(18-10-4-1-5-11-18)32-16-21-22(34-26(30)19-12-6-2-7-13-19)23(24(33-21)28-17-36)35-27(31)20-14-8-3-9-15-20/h1-15,21-24H,16H2/t21-,22-,23-,24-/m1/s1
【InChIKey】
InChIKey=AWVSFHIUQVIIOW-MOUTVQLLSA-N
【SMILES】
c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N=C=S)OC(=O)c3ccccc3)OC(=O)c4ccccc4
【MOL File】
2,3,5-TRI-O-BENZOYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL ISOTHIOCYANATE.cml