CAS No.3554-93-6,BENZYL-2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3554-93-6
Name:	BENZYL-2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
Article Data:	42

Formula:	C₁₅H₂₁NO₆
Molecular Weight:	311.335
Synonyms:	Galactopyranoside,benzyl 2-acetamido-2-deoxy- (7CI);Galactopyranoside, benzyl2-acetamido-2-deoxy-, a-D- (8CI);Benzyl 2-acetamido-2-deoxy-a-D-galactopyranoside;Benzyl N-acetyl-a-D-galactosaminide;
Density:	1.34 g/cm³
Melting Point:	201-203°C
Boiling Point:	594.9 °C at 760 mmHg
Flash Point:	313.6 °C
Hazard Symbols:	Xi
PSA:	108.25000
LogP:	-0.46220

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- China (Mainland)(13)
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Specification

This chemical is called a-D-Galactopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-, and its systematic name is Benzyl-alpha-N-acetylgalactosamine. With the molecular formula of C₁₅H₂₁NO₆, its molecular weight is 311.33. The CAS registry number of this chemical is 3554-93-6. Additionally, it should be stored at -20°C.

Other characteristics of the a-D-Galactopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy- can be summarised as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 84.82; (8)ACD/KOC (pH 7.4): 84.81; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 66.46 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 78.12 cm³; (15)Molar Volume: 231.4 cm³; (16)Polarizability: 30.97×10^-24cm³; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 313.6 °C; (20)Enthalpy of Vaporization: 93.24 kJ/mol; (21)Boiling Point: 594.9 °C at 760 mmHg; (22)Vapour Pressure: 5.36E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]2OCc1ccccc1)CO)C
2.InChI: InChI=1/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13+,14-,15+/m1/s1
3.InChIKey: SKOZFDIGKDPQBO-QMIVOQANBG