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Basic Information
CAS No.: 65730-00-9
Name: Allyl 2-(acetylamino)-2-deoxy-3-O-benzyl--D-glucopyranoside
Article Data: 1
Molecular Structure:
Molecular Structure of 65730-00-9 (Allyl 2-(acetylamino)-2-deoxy-3-O-benzyl--D-glucopyranoside)
Formula: C18H25NO6
Molecular Weight: 351.40
Synonyms: 2-Propenyl 2-(Acetylamino)-2-deoxy-3-O-benzyl--D-glucopyranoside;
Density: 1.237 g/cm3
Boiling Point: 590.665 °C at 760 mmHg
Flash Point: 311.023 °C
Appearance: off-white solid
PSA: 97.25000
LogP: 0.74810
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Specification

The Allyl 2-(acetylamino)-2-deoxy-3-O-benzyl--D-glucopyranoside, with the CAS registry number 65730-00-9, is also known as 2-Propenyl 2-(Acetylamino)-2-deoxy-3-O-benzyl--D-glucopyranoside. It belongs to the product category of Carbohydrates & Derivatives. This chemical's molecular formula is C18H25NO6 and molecular weight is 351.40. What's more, its systematic name is N-[(2R, 4R, 5S)-2-Allyloxy-4-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide.

Physical properties about Allyl 2-(acetylamino)-2-deoxy-3-O-benzyl--D-glucopyranoside are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.092; (4)ACD/LogD (pH 7.4): 1.092; (5)ACD/BCF (pH 5.5): 3.983; (6)ACD/BCF (pH 7.4): 3.983; (7)ACD/KOC (pH 5.5): 93.59; (8)ACD/KOC (pH 7.4): 93.59; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 97.25 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 91.995 cm3; (15)Molar Volume: 284.023 cm3; (16)Polarizability: 36.47×10-24 cm3; (17)Surface Tension: 51.918 dyne/cm; (18)Density: 1.237 g/cm3; (19)Flash Point: 311.023 °C; (20)Enthalpy of Vaporization: 92.68 kJ/mol; (21)Boiling Point: 590.665 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)NC1[C@H]([C@@H](C(O[C@H]1OCC=C)CO)O)OCc2ccccc2
(2) InChI: InChI=1/C18H25NO6/c1-3-9-23-18-15(19-12(2)21)17(16(22)14(10-20)25-18)24-11-13-7-5-4-6-8-13/h3-8,14-18,20,22H,1,9-11H2,2H3,(H,19,21)/t14?,15?,16-,17-,18-/m1/s1
(3) InChIKey: RRZBCUVUJQCHIM-NHHFINERBV