D-Glucopyranose,2-(benzoylamino)-2-deoxy- supplier

Name
Nsc232035
EINECS
CAS No. 14086-91-0
Article Data9
CAS DataBase
Density 1.489 g/cm³
Solubility
Melting Point 196-200°C
Formula C₁₃H₁₇NO₆
Boiling Point 644.349 °C at 760 mmHg
Molecular Weight 283.281
Flash Point 343.49 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glucopyranose,2-benzamido-2-deoxy-, D- (8CI);NSC 232035;N-[(4R,5S)-2,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide;
PSA 119.25000
LogP -1.39280

D-Glucopyranose,2-(benzoylamino)-2-deoxy- Specification

The D-Glucopyranose,2-(benzoylamino)-2-deoxy- with CAS registry number of 14086-91-0 is also known as Glucopyranose,2-benzamido-2-deoxy-, D- (8CI). The systematic name is N-[(4R,5S)-2,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide. In addition, the formula is C₁₃H₁₇NO₆ and the molecular weight is 283.28.

Physical properties about D-Glucopyranose,2-(benzoylamino)-2-deoxy- are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.128; (5)ACD/KOC (pH 7.4): 11.127; (6)#H bond acceptors: 7; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 7; (9)Index of Refraction: 1.642; (10)Molar Refractivity: 68.66 cm³; (11)Molar Volume: 190.207 cm³; (12)Surface Tension: 78.541 dyne/cm; (13)Density: 1.489 g/cm³; (14)Flash Point: 343.49 °C; (15)Enthalpy of Vaporization: 99.906 kJ/mol; (16)Boiling Point: 644.349 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: c1ccc(cc1)C(=O)NC2[C@H]([C@@H](C(OC2O)CO)O)O
2. InChI: InChI=1/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8?,9?,10-,11-,13?/m1/s1
3. InChIKey: VSGKVJPCJOJUBP-GYEOWSFSBP
4. Std. InChI: InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8?,9?,10-,11-,13?/m1/s1
5. Std. InChIKey: VSGKVJPCJOJUBP-GYEOWSFSSA-N

Product Name

Nsc232035

D-Glucopyranose,2-(benzoylamino)-2-deoxy- Specification

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