a-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-3-O-methyl- supplier

Name
BENZYL 2-ACETAMIDO-2-DEOXY-3-O-METHYL-ALPHA-D-GLUCOPYRANOSIDE
EINECS
CAS No. 93215-41-9
Article Data1
CAS DataBase
Density 1.269 g/cm³
Solubility
Melting Point 165-167°C
Formula C₁₆H₂₃NO₆
Boiling Point 569.05 °C at 760 mmHg
Molecular Weight 325.359
Flash Point 297.951°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[(2S,3S,4R,5S)-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)-4-methoxy-tetrahydropyran-3-yl]acetamide;
PSA 97.25000
LogP 0.19190

a-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-3-O-methyl- Specification

The a-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-3-O-methyl-, with its CAS registry number 93215-41-9, has its systematic name of N-[(2S,3S,4R,5S)-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)-4-methoxy-tetrahydropyran-3-yl]acetamide. With its molecular formula of C₁₆H₂₃NO₆ and molecular weight of 325.359, it should be kept in the cool and dry place.

Physical properties of a-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-3-O-methyl-: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.112; (4)ACD/LogD (pH 7.4): 0.112; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.396; (8)ACD/KOC (pH 7.4): 27.396; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 97.25 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 82.964 cm³; (15)Molar Volume: 256.348 cm³; (16)Polarizability: 32.89×10^-24cm³; (17)Surface Tension: 53.441 dyne/cm; (18)Density: 1.269 g/cm³; (19)Flash Point: 297.951 °C; (20)Enthalpy of Vaporization: 89.827 kJ/mol; (21)Boiling Point: 569.05 °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)N[C@H]1[C@H]([C@@H](C(O[C@@H]1OCc2ccccc2)CO)O)OC
(2)InChI:InChI=1/C16H23NO6/c1-10(19)17-13-15(21-2)14(20)12(8-18)23-16(13)22-9-11-6-4-3-5-7-11/h3-7,12-16,18,20H,8-9H2,1-2H3,(H,17,19)/t12?,13-,14+,15+,16-/m0/s1
(3)InChIKey:CQYQHQHAWKRHIV-GZPFGDLZBZ

Product Name

BENZYL 2-ACETAMIDO-2-DEOXY-3-O-METHYL-ALPHA-D-GLUCOPYRANOSIDE

a-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-3-O-methyl- Specification

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