60920-72-1

The a-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-3-O-2-propen-1-yl-, with the CAS registry number of 60920-72-1, is also known as Benzyl 2-Acetamido-3-O-allyl-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside. It belongs to the product category of Carbohydrates & Derivatives. Its molecular formula is C₂₅H₂₉NO₆ and molecular weight is 439.5009. What's more, its systematic name is N-[(6S,7S,8R,8aS)-8-Allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Physical properties about the a-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-3-O-2-propen-1-yl- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.575; (4)ACD/LogD (pH 7.4): 2.575; (5)ACD/BCF (pH 5.5): 53.291; (6)ACD/BCF (pH 7.4): 53.291; (7)ACD/KOC (pH 5.5): 599.175; (8)ACD/KOC (pH 7.4): 599.175; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 75.25 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 119.688 cm³; (15)Molar Volume: 358.124 cm³; (16)Surface Tension: 49.822 dyne/cm; (17)Density: 1.227 g/cm³; (18)Flash Point: 333.659 °C; (19)Enthalpy of Vaporization: 92.943 kJ/mol; (20)Boiling Point: 628.094 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)N[C@H]1[C@H]([C@H]2C(COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)OCC=C
(2) InChI: InChI=1/C25H29NO6/c1-3-14-28-23-21(26-17(2)27)25(29-15-18-10-6-4-7-11-18)31-20-16-30-24(32-22(20)23)19-12-8-5-9-13-19/h3-13,20-25H,1,14-16H2,2H3,(H,26,27)/t20?,21-,22+,23+,24?,25-/m0/s1
(3) InChIKey: WZVLJDUAASSUFR-YCEVGKGJBZ