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210036-24-1

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Basic Information
CAS No.: 210036-24-1
Name: 3-O-[2-Acetamido-2-deoxy-beta-D-glucopyranosyl]-D-mannopyranose
Article Data: 10
Cas Database
Molecular Structure:
Molecular Structure of 210036-24-1 (3-O-[2-Acetamido-2-deoxy-beta-D-glucopyranosyl]-D-mannopyranose)
Formula: C14H25NO11
Molecular Weight: 383.35
Synonyms: N-[(2S,3S,4R,5S)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]acetamide;
Density: 1.645 g/cm3
Melting Point: 178-181°C
Boiling Point: 795.471 °C at 760 mmHg
Flash Point: 434.886 °C
PSA: 198.40000
LogP: -4.86250
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Specification

The CAS registry number of 3-O-[2-Acetamido-2-deoxy-beta-D-glucopyranosyl]-D-mannopyranose is 210036-24-1. The systematic name is N-[(2S,3S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]acetamide. In addition, the molecular formula is C14H25NO11 and the molecular weight is 383.35. It should be stored in a cool and dry place.

Physical properties about 3-O-[2-Acetamido-2-deoxy-beta-D-glucopyranosyl]-D-mannopyranose are: (1)# of Rule of 5 Violations: 2 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 12; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 198.4 Å2; (10)Index of Refraction: 1.624; (11)Molar Refractivity: 82.299 cm3; (12)Molar Volume: 233.098 cm3; (13)Polarizability: 32.626 ×10-24cm3; (14)Surface Tension: 93.554 dyne/cm; (15)Density: 1.645 g/cm3; (16)Flash Point: 434.886 °C; (17)Enthalpy of Vaporization: 131.791 kJ/mol; (18)Boiling Point: 795.471 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N[C@H]1[C@H]([C@@H](C(O[C@H]1O[C@@H]2[C@H]([C@@H](OC([C@H]2O)CO)O)O)CO)O)
(2)InChI: InChI=1/C14H25NO11/c1-4(18)15-7-10(21)8(19)5(2-16)25-14(7)26-12-9(20)6(3-17)24-13(23)11(12)22/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5?,6?,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1
(3)InChIKey: IXWNIYCPCRHGAE-KCTHWMCZBU