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209977-51-5

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Basic Information
CAS No.: 209977-51-5
Name: 2-Acetamido-2-deoxy-6-O-(beta-D-galactopyranosyl)-D-galactopyranose
Article Data: 23
Molecular Structure:
Molecular Structure of 209977-51-5 (2-Acetamido-2-deoxy-6-O-(beta-D-galactopyranosyl)-D-galactopyranose)
Formula: C14H25NO11
Molecular Weight: 383.35
Synonyms: 2-Acetamido-2-deoxy-6-O-(β-D-galactopyranosyl)-D-galactopyranose;
Density: 1.645 g/cm3
Melting Point: 159-160 °C
Boiling Point: 800.286 °C at 760 mmHg
Flash Point: 437.798 °C
PSA: 198.40000
LogP: -4.86250
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Specification

The 2-Acetamido-2-deoxy-6-O-(beta-D-galactopyranosyl)-D-galactopyranose, with the CAS registry number of 209977-51-5, is also known as 2-Acetamido-2-deoxy-6-O-(β-D-galactopyranosyl)-D-galactopyranose. It belongs to the product category of Oligosaccharides. Its molecular formula is C14H25NO11 and molecular weight is 383.35. What's more, its systematic name is N-[(2R,3S,4R,5R)-2,4,5-Trihydroxy-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]acetamide.

Physical properties about the 2-Acetamido-2-deoxy-6-O-(beta-D-galactopyranosyl)-D-galactopyranose 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)Surface Tension: 93.554 dyne/cm; (14)Density: 1.645 g/cm3; (15)Flash Point: 437.798 °C; (16)Enthalpy of Vaporization: 132.547 kJ/mol; (17)Boiling Point: 800.286 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C.

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)CO[C@H]2[C@H]([C@H]([C@H](C(O2)CO)O)O)O)O)O
(2) InChI: InChI=1/C14H25NO11/c1-4(17)15-7-10(20)9(19)6(25-13(7)23)3-24-14-12(22)11(21)8(18)5(2-16)26-14/h5-14,16,18-23H,2-3H2,1H3,(H,15,17)/t5?,6?,7-,8-,9-,10+,11-,12-,13+,14+/m0/s1
(3) InChIKey: ACKXCNXSQYSCQN-FBVCMLSABQ