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133697-22-0

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Basic Information
CAS No.: 133697-22-0
Name: 2,3-ANHYDRO-4,6-O-BENZYLIDENE-N-(TERT-BUTOXYCARBONYL)-1,5-DEOXY-1,5-IMINO-D-GLUCITOL
Molecular Structure:
Molecular Structure of 133697-22-0 (2,3-ANHYDRO-4,6-O-BENZYLIDENE-N-(TERT-BUTOXYCARBONYL)-1,5-DEOXY-1,5-IMINO-D-GLUCITOL)
Formula: C18H23NO5
Molecular Weight: 333.38
Synonyms: 2,3-ANHYDRO-4,6-O-BENZYLIDENE-N-(TERT-BUTOXYCARBONYL)-1,5-DEOXY-1,5-IMINO-D-GLUCITOL;[2R-(2α,4aα,6aβ,7aβ,7bβ)]-Hexahydro-2-phenyl-5H-1,3-dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic Acid 1,1-DiMethylethyl Ester
Density: 1.222 g/cm3
Melting Point: 130-131.5 °C
Boiling Point: 456.616 °C at 760 mmHg
Flash Point: 229.954 °C
Solubility: Soluble in dichloromethane and methanol
Appearance: White solid
PSA: 60.53000
LogP: 2.42520
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    2,3-Anhydro-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,5-deoxy-1,5-imino-D-glucitol

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    2,3-Anhydro-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,5-deoxy-1,5-imino-D-glucitol

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Specification

The chemical with CAS registry number of 133697-22-0 is known as 2,3-Anhydro-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,5-deoxy-1,5-imino-d-glucitoll. In addition, the formula is C18H23NO5 and the molecular weight is 333.38. This chemical is a white solid and is soluble in dichloromethane and methanol.

Physical properties about 2,3-Anhydro-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,5-deoxy-1,5-imino-d-glucitoll are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.175; (3)ACD/LogD (pH 7.4): 2.175; (4)ACD/BCF (pH 5.5): 26.479; (5)ACD/BCF (pH 7.4): 26.479; (6)ACD/KOC (pH 5.5): 363.182; (7)ACD/KOC (pH 7.4): 363.182; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 86.028 cm3; (12)Molar Volume: 272.743 cm3; (13)Surface Tension: 42.147 dyne/cm; (14)Density: 1.222 g/cm3; (15)Flash Point: 229.954 °C; (16)Enthalpy of Vaporization: 71.659 kJ/mol; (17)Boiling Point: 456.616 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: CC(C)(C)OC(=O)N1CC2[C@H](O2)[C@H]3C1COC(O3)c4ccccc4
2. InChI: InChI=1/C18H23NO5/c1-18(2,3)24-17(20)19-9-13-15(22-13)14-12(19)10-21-16(23-14)11-7-5-4-6-8-11/h4-8,12-16H,9-10H2,1-3H3/t12?,13?,14-,15+,16?/m1/s1
3. InChIKey: QQJPAXYKZQBUAX-MJHWXPEHBV
4. Std. InChI: InChI=1S/C18H23NO5/c1-18(2,3)24-17(20)19-9-13-15(22-13)14-12(19)10-21-16(23-14)11-7-5-4-6-8-11/h4-8,12-16H,9-10H2,1-3H3/t12?,13?,14-,15+,16?/m1/s1
5. Std. InChIKey: QQJPAXYKZQBUAX-MJHWXPEHSA-N