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2-Acetamido-1,2,5-trideoxy-1,5-imino-D-glucitol

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Name

2-Acetamido-1,2,5-trideoxy-1,5-imino-D-glucitol

EINECS N/A
CAS No. 105265-96-1 Density 1.35 g/cm3
PSA 101.82000 LogP -2.10330
Solubility N/A Melting Point 227-228°C
Formula C8H16N2O4 Boiling Point 502.5 °C at 760 mmHg
Molecular Weight 204.226 Flash Point 257.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 105265-96-1 (2-ACETAMIDO-1,2,5-TRIDEOXY-1,5-IMINO-D-G LUCITOL) Hazard Symbols IrritantXi
Synonyms

Acetamide,N-[4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-, [3S-(3a,4b,5a,6b)]-;2-Acetamido-1,2-dideoxynojirimycin;

Article Data 19

2-Acetamido-1,2,5-trideoxy-1,5-imino-D-glucitol Specification

The CAS registry number of Acetamide,N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]- is 105265-96-1. The systematic name is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide. In addition, the molecular formula is C8H16N2O4 and the molecular weight is 204.22. What's more, it should be stored in a cool and dry place.

Physical properties about Acetamide,N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]- are: (1)ACD/LogP: -2.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.47; (4)ACD/LogD (pH 7.4): -2.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.24 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 48.97 cm3; (15)Molar Volume: 150.1 cm3; (16)Polarizability: 19.41 ×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 257.7 °C; (20)Enthalpy of Vaporization: 88.85 kJ/mol; (21)Boiling Point: 502.5 °C at 760 mmHg; (22)Vapour Pressure: 3.33E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@H](NC1)CO)C
(2)InChI: InChI=1/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1
(3)InChIKey: GBRAQQUMMCVTAV-LXGUWJNJBO

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