27530-87-6 , Tetra-O-benzoyl-b-D-glucopyranosyl chloride , CAS: 27530-87-6

27530-87-6 , Tetra-O-benzoyl-b-D-glucopyranosyl chloride,
CAS: 27530-87-6
C34H27ClO9 / 615.04

Tetra-O-benzoyl-b-D-glucopyranosyl chloride

四苯甲酰基-b-D-氯代吡喃葡萄糖 ,

CAS Number	27530-87-6
Product Name	b-D-Glucopyranosyl chloride, tetrabenzoate
IUPAC Name	[(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-chlorooxan-2-yl]methyl benzoate
Molecular Formula	C34H27ClO9
Molecular Weight	615.04 g/mol
InChI	InChI=1S/C34H27ClO9/c35-30-29(44-34(39)25-19-11-4-12-20-25)28(43-33(38)24-17-9-3-10-18-24)27(42-32(37)23-15-7-2-8-16-23)26(41-30)21-40-31(36)22-13-5-1-6-14-22/h1-20,26-30H,21H2/t26-,27-,28+,29-,30-/m1/s1
InChI Key	RPAFUVNYMMOOKJ-CMPUJJQDSA-N
SMILES	C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Canonical SMILES	C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Isomeric SMILES	C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5