3,4,6-Tri-O-benzyl-beta-D-mannopyranose-1,2-(methyl orthoacetate)

The CAS register number of 3,4,6-Tri-O-benzyl-beta-D-mannopyranose-1,2-(methyl orthoacetate) is 16697-49-7. It also can be called as 3,4,6-Tri-O-benzyl--D-mannopyranose 1,2-(Methyl Orthoacetate) and the systematic name about this chemical is (3aS,6R,7S,7aR)-6,7-dibenzyloxy-5-(benzyloxymethyl)-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran. The molecular formula about this chemical is C₃₀H₃₄O₇ and the molecular weight is 506.592. It belongs to the following product categories which include Carbohydrates & Derivatives and so on.

Physical properties about 3,4,6-Tri-O-benzyl-beta-D-mannopyranose-1,2-(methyl orthoacetate) are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.819; (4)ACD/LogD (pH 7.4): 3.819; (5)ACD/BCF (pH 5.5): 470.677; (6)ACD/BCF (pH 7.4): 470.677; (7)ACD/KOC (pH 5.5): 2849.3; (8)ACD/KOC (pH 7.4): 2849.3; (9)#H bond acceptors: 7; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 64.61 Å²; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 139.746 cm³; (14)Molar Volume: 412.628 cm³; (15)Polarizability: 55.4x10^-24cm³; (16)Surface Tension: 50.81 dyne/cm; (17)Density: 1.228 g/cm³; (18)Flash Point: 232.122 °C; (19)Enthalpy of Vaporization: 86.164 kJ/mol; (20)Boiling Point: 601.108 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(O[C@@H]2[C@H]([C@@H](C(O[C@H]2O1)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OC
(2)InChI: InChI=1/C30H34O7/c1-30(31-2)36-28-27(34-20-24-16-10-5-11-17-24)26(33-19-23-14-8-4-9-15-23)25(35-29(28)37-30)21-32-18-22-12-6-3-7-13-22/h3-17,25-29H,18-21H2,1-2H3/t25?,26-,27+,28-,29+,30?/m1/s1
(3)InChIKey: SCDVHQXHQOSKCS-PJPDKZSRBB
(4)Std. InChI: InChI=1S/C30H34O7/c1-30(31-2)36-28-27(34-20-24-16-10-5-11-17-24)26(33-19-23-14-8-4-9-15-23)25(35-29(28)37-30)21-32-18-22-12-6-3-7-13-22/h3-17,25-29H,18-21H2,1-2H3/t25?,26-,27+,28-,29+,30?/m1/s1
(5)Std. InChIKey: SCDVHQXHQOSKCS-PJPDKZSRSA-N