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420118-03-2

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Basic Information
CAS No.: 420118-03-2
Name: 2-Acetamido-4,6-O-benzylidene-2-deoxy-D-galactose
Molecular Structure:
Molecular Structure of 420118-03-2 (2-Acetamido-4,6-O-benzylidene-2-deoxy-D-galactose)
Formula: C15H19NO6
Molecular Weight: 309.319
Synonyms: 4,6-O-Benzylidene-N-acetyl-D-galactosamine
Density: 1.394 g/cm3
Melting Point: 214-215°C
Boiling Point: 623.514 °C at 760 mmHg
Flash Point: 330.889 °C
PSA: 97.25000
LogP: 0.07430
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Specification

The cas register number of 4,6-O-Benzylidene-N-acetyl-D-galactosamine is 420118-03-2. It also can be called as 2-Acetamido-4,6-O-benzylidene-2-deoxy-D-galactose and the Systematic name about this chemical is N-[(6R,7S,8R,8aR)-6,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Physical properties about 4,6-O-Benzylidene-N-acetyl-D-galactosamine are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.049; (4)ACD/LogD (pH 7.4): 1.049; (5)ACD/BCF (pH 5.5): 3.692; (6)ACD/BCF (pH 7.4): 3.692; (7)ACD/KOC (pH 5.5): 88.653; (8)ACD/KOC (pH 7.4): 88.65; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 97.25Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 76.27 cm3; (15)Molar Volume: 221.949 cm3; (16)Surface Tension: 61.487 dyne/cm; (17)Density: 1.394 g/cm3; (18)Flash Point: 330.889 °C; (19)Enthalpy of Vaporization: 97.078 kJ/mol; (20)Boiling Point: 623.514 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: CC(=O)N[C@H]1[C@H]([C@@H]2C(COC(O2)c3ccccc3)O[C@H]1O)O
2.InChI: InChI=1/C15H19NO6/c1-8(17)16-11-12(18)13-10(21-14(11)19)7-20-15(22-13)9-5-3-2-4-6-9/h2-6,10-15,18-19H,7H2,1H3,(H,16,17)/t10?,11-,12+,13-,14+,15?/m0/s1
3.InChIKey: OIXDAEIOQFFRMF-CZFYFISABJ
4.Std. InChI: InChI=1S/C15H19NO6/c1-8(17)16-11-12(18)13-10(21-14(11)19)7-20-15(22-13)9-5-3-2-4-6-9/h2-6,10-15,18-19H,7H2,1H3,(H,16,17)/t10?,11-,12+,13-,14+,15?/m0/s1