β-D-Glucopyranoside, 2-propen-1-yl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate supplier

Name
Allyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy--D-glucopyranoside
EINECS 1533716-785-6
CAS No. 28738-44-5
Article Data30
CAS DataBase
Density 1.233 g/cm³
Solubility
Melting Point 151-157°C (dec.)
Formula C₁₇H₂₅NO₉
Boiling Point 531.336 °C at 760 mmHg
Molecular Weight 387.387
Flash Point 275.142 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glucopyranoside,allyl 2-acetamido-2-deoxy-, 3,4,6-triacetate, β-D- (8CI);β-D-Glucopyranoside, 2-propenyl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate (9CI);Allyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside;
PSA 126.46000
LogP 0.23600

β-D-Glucopyranoside, 2-propen-1-yl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate Specification

The β-D-Glucopyranoside, 2-propen-1-yl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate is an organic compound with the formula C₁₇H₂₅NO₉. The systematic name of this chemical is Prop-2-en-1-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranoside. The CAS registry number of this chemical is 28738-44-5. The categories of the product are Carbohydrates and Derivatives. Besides, its molecular weight is 387.38. It is white solid.

The physical properties of β-D-Glucopyranoside, 2-propen-1-yl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 72; (8)ACD/KOC (pH 7.4): 72; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 126.46 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 91.196 cm³; (15)Molar Volume: 314.076 cm³; (16)Polarizability: 36.153×10^-24 cm³; (17)Surface Tension: 44.472 dyne/cm; (18)Density: 1.233 g/cm³; (19)Flash Point: 275.142 °C; (20)Enthalpy of Vaporization: 80.682 kJ/mol; (21)Boiling Point: 531.336 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@H]1O[C@@H](OC/C=C)[C@H](NC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)C
(2)InChI: InChI=1/C17H25NO9/c1-6-7-23-17-14(18-9(2)19)16(26-12(5)22)15(25-11(4)21)13(27-17)8-24-10(3)20/h6,13-17H,1,7-8H2,2-5H3,(H,18,19)/t13-,14-,15+,16-,17-/m1/s1
(3)InChIKey: PRSVMSRDBOXABR-NQNKBUKLBJ
(4)Std. InChI: InChI=1S/C17H25NO9/c1-6-7-23-17-14(18-9(2)19)16(26-12(5)22)15(25-11(4)21)13(27-17)8-24-10(3)20/h6,13-17H,1,7-8H2,2-5H3,(H,18,19)/t13-,14-,15+,16-,17-/m1/s1
(5)Std. InChIKey: PRSVMSRDBOXABR-NQNKBUKLSA-N

Product Name

Allyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy--D-glucopyranoside

β-D-Glucopyranoside, 2-propen-1-yl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate Specification

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