1,3-Di-O-acetyl-2-deoxy-5-O-benzoyl-D-xylofuranose supplier

Name
1,3-Di-O-acetyl-2-deoxy-5-O-benzoyl-D-xylofuranose
EINECS
CAS No. 327027-21-4
Density 1.275 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₈O₇
Boiling Point 419.9 °C at 760 mmHg
Molecular Weight 322.31
Flash Point 184.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-threo-pentofuranose, 2-deoxy-, 1,3-diacetate 5-benzoate;
PSA 88.13000
LogP 1.45320

1,3-Di-O-acetyl-2-deoxy-5-O-benzoyl-D-xylofuranose Specification

The 1,3-Di-O-acetyl-2-deoxy-5-O-benzoyl-D-xylofuranose, with cas registry number 327027-21-4, has the systematic name of L-threo-pentofuranose, 2-deoxy-, 1,3-diacetate 5-benzoate. And it is also called 1,3-Di-O-acetyl-2-deoxy-5-O-benzoyl-L-erythro-pentofuranose.

Physical properties about this chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.05; (6)ACD/BCF (pH 7.4): 24.05; (7)ACD/KOC (pH 5.5): 339.03; (8)ACD/KOC (pH 7.4): 339.03; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 88.13 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 78.26 cm³; (15)Molar Volume: 252.7 cm³; (16)Polarizability: 31.02×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Enthalpy of Vaporization: 67.36 kJ/mol; (19)Vapour Pressure: 2.94E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)O[C@H]1CC(O[C@H]1COC(=O)c2ccccc2)OC(=O)C
(2)InChI: InChI=1/C16H18O7/c1-10(17)21-13-8-15(22-11(2)18)23-14(13)9-20-16(19)12-6-4-3-5-7-12/h3-7,13-15H,8-9H2,1-2H3/t13-,14-,15?/m0/s1
(3)InChIKey: PJJGFSKWWGKIMN-ZYOSVBKOBK
(4)Std. InChI: InChI=1S/C16H18O7/c1-10(17)21-13-8-15(22-11(2)18)23-14(13)9-20-16(19)12-6-4-3-5-7-12/h3-7,13-15H,8-9H2,1-2H3/t13-,14-,15?/m0/s1
(5)Std. InChIKey: PJJGFSKWWGKIMN-ZYOSVBKOSA-N

Product Name

1,3-Di-O-acetyl-2-deoxy-5-O-benzoyl-D-xylofuranose

1,3-Di-O-acetyl-2-deoxy-5-O-benzoyl-D-xylofuranose Specification

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