Products Categories
CAS No.: | 50605-09-9 |
---|---|
Name: | 2-Acetamido-2-deoxy-4,6-O-isopropylidene-D-glucopyranose |
Molecular Structure: | |
Formula: | C13H21NO7 |
Molecular Weight: | 303.31 |
Synonyms: | [(4aS,7R,8S,8aR)-7-Acetamido-6-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate; |
Density: | 1.3 g/cm3 |
Melting Point: | 189-190 °C |
Boiling Point: | 483.4 °C at 760 mmHg |
Flash Point: | 246.2 °C |
Hazard Symbols: | Xi |
What can I do for you?
Get Best Price
The 2-Acetamido-2-deoxy-4, 6-O-isopropylidene-D-glucopyranose, with the CAS registry number 50605-09-9, belongs to the product categories of 13C & 2H Sugars; Aldehydes; Carbohydrates & Derivatives. This chemical's molecular formula is C13H21NO7 and molecular weight is 303.31. What's more, its systematic name is [(4aS, 7R, 8S, 8aR)-7-Acetamido-6-hydroxy-2, 2-dimethyl-4, 4a, 6, 7, 8, 8a-hexahydropyrano[3, 2-d][1, 3]dioxin-8-yl] acetate. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, it is a useful synthetic intermediate for carbohydrate chemistry.
Physical properties about 2-Acetamido-2-deoxy-4, 6-O-isopropylidene-D-glucopyranose are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.22; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 103.32 Å2; (9)Index of Refraction: 1.516; (10)Molar Refractivity: 70.43 cm3; (11)Molar Volume: 233.1 cm3; (12)Polarizability: 27.92×10-24 cm3; (13)Surface Tension: 48.3 dyne/cm; (14)Density: 1.3 g/cm3; (15)Flash Point: 246.2 °C; (16)Enthalpy of Vaporization: 86.26 kJ/mol; (17)Boiling Point: 483.4 °C at 760 mmHg; (18)Vapour Pressure: 2.25E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)NC1C(C2C(COC(O2)(C)C)OC1O)OC(=O)C
(2) InChI: InChI=1/C13H21NO7/c1-6(15)14-9-11(19-7(2)16)10-8(20-12(9)17)5-18-13(3,4)21-10/h8-12,17H,5H2,1-4H3,(H,14,15)/t8-,9+,10-,11-,12?/m0/s1
(3) InChIKey: CVQHNAAVEIPJTK-DHLNJSKSBW