2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate) supplier

Name
2,3,5-tri-O-benzyl-1,0-(4-nitrobenzoyl)-D-arabinofuranose
EINECS 257-992-5
CAS No. 52522-49-3
Density 1.3 g/cm³
Solubility
Melting Point 86-88 °C(lit.)
Formula C₃₃H₃₁NO₈
Boiling Point 706.2 °C at 760 mmHg
Molecular Weight 569.611
Flash Point 246.8 °C
Transport Information
Appearance odorless off-white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3,5-Tri-O-benzyl-1-O-(p-nitrobenzoyl)-D-arabinose;2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose;NSC 98642;4-Nitrobenzoate 2,3,5-tris-O-benzyl-D-arabinofuranose;
PSA 109.04000
LogP 6.38730

2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate) Specification

The CAS registry number of 2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate) is 52522-49-3. the IUPAC name is (3S,4S,5R)-3,4-bis(phenylmethoxy)-5-[(phenylmethoxy)methyl]oxolan-2-yl 4-nitrobenzoate. And its EINECS registry number is 257-992-5. In addition, the molecular formula is C₃₃H₃₁NO₈ and the molecular weight is 569.61. It is a kind of beige powder.

Physical properties about 2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate) are: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.754; (4)ACD/LogD (pH 7.4): 6.754; (5)ACD/BCF (pH 5.5): 80021.172; (6)ACD/BCF (pH 7.4): 80021.172; (7)ACD/KOC (pH 5.5): 112536.742; (8)ACD/KOC (pH 7.4): 112536.742; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 109.04 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 150.659 cm³; (15)Molar Volume: 420.026 cm³; (16)Polarizability: 59.726 ×10^-24cm³; (17)Surface Tension: 60.621 dyne/cm; (18)Density: 1.323 g/cm³; (19)Flash Point: 245.002 °C; (20)Enthalpy of Vaporization: 101.485 kJ/mol; (21)Boiling Point: 692.657 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CO[C@H]2C([C@H](OC2OC(=O)c3ccc(cc3)[N+](=O)[O-])OCc4ccccc4)OCc5ccccc5
(2)InChI: InChI=1/C33H31NO8/c35-32(27-16-18-28(19-17-27)34(36)37)42-33-31(40-22-26-14-8-3-9-15-26)30(39-21-25-12-6-2-7-13-25)29(41-33)23-38-20-24-10-4-1-5-11-24/h1-19,29-31,33H,20-23H2/t29-,30-,31+,33?/m1/s1
(3)InChIKey: ZIEJEWISHIZPNQ-WBVOFJQMBW

Product Name

2,3,5-tri-O-benzyl-1,0-(4-nitrobenzoyl)-D-arabinofuranose

2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate) Specification

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