MW: 457.37

MDL: MFCD00731295

TNP: TNP00035

LogP: 5.1

LogS: -5.3

Acceptors: 3

Donors: 2

Rotation Bonds: 3

Chiral Centers: 1

N+O: 5

LIPINSKY: 4

IUPAC: 11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one

Smiles: C=12C(c3c(c(OC)ccc3OC)Br)Nc3ccccc3NC1CC(CC2=O)(C)C

MW: 282.29

CAS: 3162-96-7

MDL: MFCD00370563

TNP: TNP00412

METHYL 4,6-O-BENZILIDINE-D-GLUCOPYRANOSIDE; METHYL 4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE; METHYL 4,6-O-BENZYLIDENE-A-D-GLUCOPYRANOSIDE; (+)-(4,6-O-BENZYLIDENE)METHYL-ALPHA-D-GLUCOPYRANOSIDE; 4,6-O-BENZYLIDENE-METHYL-ALPHA-D-GLUCOPYRANOSIDE; 4,6-BENZYLIDENE

LogP: 0.65

LogS: -6.57

Acceptors: 6

Donors: 2

Rotation Bonds: 3

Chiral Centers: 6

N+O: 6

LIPINSKY: 4

IUPAC: 2-methoxy-6-phenyl-2H-3,4,5,6,7,8,4a,8a-octahydro-5,7-dioxachromene-3,4-diol

Smiles: c1ccc(C2OC3C(C(O)C(OC3CO2)OC)O)cc1

SOURCE: Derivative of glucose - natural carbohydrate

Specification: Sugars, Carbohydrates & Glucosides; 13C & 2H Sugars; Biochemistry; Glucose; Glycosides; O-Substituted Sugars; Sugars; Carbohydrates & Derivatives METHYL 4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE Chemical Properties:

mp 164-167 C refractive index 105 (C=2, MeOH) storage temp. 2-8C BRN 1291458 CAS DataBase Reference3162-96-7(CAS DataBase Reference) Safety Information Hazard Codes C Risk Statements 20/21/22-34 Safety Statements 22-24/25-45-36/37/39-27-26 WGK Germany 3 F 21 METHYL 4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE Usage And Synthesis Chemical Properties:

White Crystalline Solid METHYL 4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE