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4-Methylumbelliferyl 2-amino-2-deoxy-alpha-D-glucopyranoside

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Name

4-Methylumbelliferyl 2-amino-2-deoxy-alpha-D-glucopyranoside

EINECS 1533716-785-6
CAS No. 137687-00-4 Density 1.449 g/cm3
PSA 138.46000 LogP -0.18520
Solubility N/A Melting Point 244-246oC
Formula C16H19NO7 Boiling Point 624.724 °C at 760 mmHg
Molecular Weight 337.32 Flash Point 331.621 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 137687-00-4 (4-Methylumbelliferyl 2-Amino-2-deoxy-a-D-glucopyranoside) Hazard Symbols N/A
Synonyms

7-[(2R,3S,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-methyl-chromen-2-one;

 

4-Methylumbelliferyl 2-amino-2-deoxy-alpha-D-glucopyranoside Specification

The 4-Methylumbelliferyl 2-amino-2-deoxy-alpha-D-glucopyranoside with the CAS number 137687-00-4 is also called 7-[(2R,3S,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-methyl-chromen-2-one. Its molecular formula is C16H19NO7. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Methylumbelliferyl 2-amino-2-deoxy-alpha-D-glucopyranoside are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3.804; (7)#H bond acceptors: 8; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 131.47Å2; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 82.14 cm3; (13)Molar Volume: 232.747 cm3; (14)Polarizability: 32.563×10-24cm3; (15)Surface Tension: 65.609 dyne/cm; (16)Enthalpy of Vaporization: 97.241 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@H](C([C@@H](C(O3)CO)O)O)N
(2)InChI: InChI=1/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11?,13-,14+,15?,16-/m0/s1
(3)InChIKey: XPBYRVZLJCNXMD-XKNQCCKQBT

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