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CAS No.: | 28541-84-6 |
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Name: | 6-BROMO-2-NAPHTHYL-ALPHA-D-MANNOPYRANOSIDE |
Molecular Structure: | |
Formula: | C16H17BrO6 |
Molecular Weight: | 385.211 |
Synonyms: | Mannopyranoside,6-bromo-2-naphthyl, a-D- (8CI); |
EINECS: | 249-074-8 |
Density: | 1.698 g/cm3 |
Melting Point: | 248-252ºC |
Boiling Point: | 608.6 °C at 760 mmHg |
Flash Point: | 321.9 °C |
Solubility: | Soluble in DMF. |
Appearance: | White to off-white crystalline powder |
PSA: | 99.38000 |
LogP: | 0.78100 |
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The a-D-Mannopyranoside,6-bromo-2-naphthalenyl (9CI), with the CAS registry number 28541-84-6, is also known as α-D-Mannopyranoside, 6-bromo-2-naphthalenyl. Its EINECS registry number is 249-074-8. This chemical's molecular formula is C16H17BrO6 and molecular weight is 385.2066. What's more, its systematic name is 6-Bromonaphthalen-2-yl α-D-mannopyranoside.
Physical properties about a-D-Mannopyranoside,6-bromo-2-naphthalenyl (9CI) are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.07; (6)ACD/BCF (pH 7.4): 6.07; (7)ACD/KOC (pH 5.5): 126.52; (8)ACD/KOC (pH 7.4): 126.51; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 87.49 cm3; (15)Molar Volume: 226.8 cm3; (16)Polarizability: 34.68×10-24cm3; (17)Surface Tension: 68 dyne/cm; (18)Density: 1.698 g/cm3; (19)Flash Point: 321.9 °C; (20)Enthalpy of Vaporization: 95.08 kJ/mol; (21)Boiling Point: 608.6 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-15 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc3ccc2cc(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)ccc2c3
(2) InChI: InChI=1/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13-,14+,15+,16+/m1/s1
(3) InChIKey: NLRXQZJJCPRATR-OWYFMNJBBZ