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Basic Information
CAS No.: 3150-15-0
Name: METHYL 2,3-ANHYDRO-4,6-O-BENZYLIDENE-ALPHA-D-ALLOPYRANOSIDE
Article Data: 53
Molecular Structure:
Molecular Structure of 3150-15-0 (METHYL 2,3-ANHYDRO-4,6-O-BENZYLIDENE-ALPHA-D-ALLOPYRANOSIDE)
Formula: C14H16O5
Molecular Weight: 264.278
Synonyms: Methyl 2,3-anhydro-4,6-O-(benzylidene)-alpha-allo-D-pyranoside;
EINECS: 221-582-4
Density: 1.322 g/cm3
Melting Point: 201-202℃
Boiling Point: 391.011 °C at 760 mmHg
Flash Point: 165.408 °C
PSA: 49.45000
LogP: 1.23930
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Specification

The a-D-Allopyranoside, methyl 2,3-anhydro-4,6-O-(phenylmethylene)-, with the CAS registry number 3150-15-0, is also known as Methyl 2,3-anhydro-4,6-O-(benzylidene)-alpha-allo-D-pyranoside. It belongs to the product categories of Sugars, Carbohydrates & Glucosides; Carbohydrates; Carbohydrates A to; Carbohydrates M-OBiochemicals and Reagents; Monosaccharide. Its EINECS registry number is 221-582-4. This chemical's molecular formula is C14H16O5 and molecular weight is 264.27. What's more, its systematic name is called Methyl 2,3-anhydro-4,6-O-benzylidene-α-D-allopyranoside. It should be stored in a cool and dry place at 2-8 °C.

Physical properties about a-D-Allopyranoside, methyl2,3-anhydro-4,6-O-(phenylmethylene)- are: (1)ACD/LogP: 3.742; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 411.37; (6)ACD/BCF (pH 7.4): 411.37; (7)ACD/KOC (pH 5.5): 2587.44; (8)ACD/KOC (pH 7.4): 2587.44; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.45 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 66.242 cm3; (15)Molar Volume: 199.827 cm3; (16)Polarizability: 26.26×10-24cm3; (17)Surface Tension: 47.711 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 165.408 °C; (20)Enthalpy of Vaporization: 61.554 kJ/mol; (21)Boiling Point: 391.011 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O3[C@H]4[C@H](O[C@H]1[C@@H](OC(OC1)c2ccccc2)[C@@H]34)OC
(2) InChI: InChI=1S/C14H16O5/c1-15-14-12-11(18-12)10-9(17-14)7-16-13(19-10)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3/t9-,10-,11-,12-,13?,14+/m1/s1
(3) InChIKey: HQTCRHINASMQOA-BTZLDLHRSA-N