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CAS No.: | 123723-77-3 |
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Name: | mannosylhydrazine |
Molecular Structure: | |
Formula: | C6H14N2O5 |
Molecular Weight: | 194.188 |
Synonyms: | D-Mannopyranose, 1-deoxy-1-hydrazino-;Mannosylhydrazine; |
Density: | 1.608 g/cm3 |
Boiling Point: | 496.882 °C at 760 mmHg |
Flash Point: | 254.306 °C |
PSA: | 128.20000 |
LogP: | -2.65920 |
The 1-Deoxy-1-hydrazino-D-mannopyranose, with the CAS registry number 123723-77-3, is also known as D-Mannopyranose, 1-deoxy-1-hydrazino-. This chemical's molecular formula is C6H14N2O5 and molecular weight is 194.19. What's more, its systematic name is (3S,4S,5S,6R)-2-Hydrazino-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol.
Physical properties of 1,2,3,4-Tetrahydro-4,6,7-isoquinolinetriol are: (1)ACD/LogP: -3.228; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.68; (4)ACD/LogD (pH 7.4): -3.24; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 128.2 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 42.825 cm3; (15)Molar Volume: 120.757 cm3; (16)Polarizability: 16.977×10-24cm3; (17)Surface Tension: 94.9 dyne/cm; (18)Density: 1.608 g/cm3; (19)Flash Point: 254.306 °C; (20)Enthalpy of Vaporization: 88.08 kJ/mol; (21)Boiling Point: 496.882 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1[C@@H](O)[C@H](O)[C@H](OC1NN)CO
(2)Std. InChI: InChI=1S/C6H14N2O5/c7-8-6-5(12)4(11)3(10)2(1-9)13-6/h2-6,8-12H,1,7H2/t2-,3-,4+,5+,6?/m1/s1
(3)Std. InChIKey: QDCGKSGKHZOMKB-QTVWNMPRSA-N