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63503-05-9

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Basic Information
CAS No.: 63503-05-9
Name: 2-NAPHTHYL-ALPHA-L-FUCOPYRANOSIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 63503-05-9 (2-NAPHTHYL-ALPHA-L-FUCOPYRANOSIDE)
Formula: C16H18O5
Molecular Weight: 290.316
Synonyms: EINECS 264-278-7
EINECS: 264-278-7
Density: 1.369 g/cm3
Melting Point: 196oC ± 3oC
Boiling Point: 507.4 °C at 760 mmHg
Flash Point: 260.7 °C
Appearance: White to off-white crystalline powder
PSA: 79.15000
LogP: 1.04610
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Specification

The α-L-Galactopyranoside, 2-naphthalenyl 6-deoxy-, with the CAS registry number 63503-05-9, is also known as naphthalen-2-yl 6-deoxy-α-L-galactopyranoside. Its molecular formula is C16H18O5 and its molecular weight is 290.3111. Additionally, it has the IUPAC name (2S,3S,4R,5S,6S)-2-methyl-6-naphthalen-2-yloxyoxane-3,4,5-triol.

Other characteristics of the α-L-Galactopyranoside, 2-naphthalenyl 6-deoxy- can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 47.08; (6)ACD/BCF (pH 7.4): 47.08; (7)ACD/KOC (pH 5.5): 548.29; (8)ACD/KOC (pH 7.4): 548.29; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 78.28 cm3; (15)Molar Volume: 212 cm3; (16)Polarizability: 31.03×10-24cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.369 g/cm3; (19)Flash Point: 260.7 °C; (20)Enthalpy of Vaporization: 81.87 kJ/mol; (21)Boiling Point: 507.4 °C at 760 mmHg; (22)Vapour Pressure: 4.05E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O(c1ccc2c(c1)cccc2)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C
2.InChI: InChI=1/C16H18O5/c1-9-13(17)14(18)15(19)16(20-9)21-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13-19H,1H3/t9-,13+,14+,15-,16-/m0/s1
3.InChIKey: HFJUQSUBZOKELZ-FITDYDNJBV