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25320-99-4

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Basic Information
CAS No.: 25320-99-4
Name: BENZYL ALPHA-D-GLUCOPYRANOSIDE
Article Data: 35
Molecular Structure:
Molecular Structure of 25320-99-4 (BENZYL ALPHA-D-GLUCOPYRANOSIDE)
Formula: C13H18O6
Molecular Weight: 270.282
Synonyms: Glucopyranoside, benzyl, a-D- (8CI);Benzyl a-D-glucopyranoside;1-O-Benzyl-α-D-glucopyranose;(2S,4S,5S)-2-Benzyloxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;
Density: 1.409 g/cm3
Melting Point: 122 °C
Boiling Point: 480.178 °C at 760 mmHg
Flash Point: 244.203 °C
PSA: 99.38000
LogP: -0.99690
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Specification

The α-D-Glucopyranoside, phenylmethyl, with the CAS registry number 25320-99-4, is also known as 1-O-Benzyl-α-D-glucopyranose. This chemical's molecular formula is C13H18O6 and molecular weight is 270.28. What's more, its systematic name is (2S,4S,5S)-2-benzyloxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol. 

Physical properties of α-D-Glucopyranoside, phenylmethyl are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.913; (5)ACD/KOC (pH 7.4): 9.913; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 99.38 Å2; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 66.634 cm3; (12)Molar Volume: 191.781 cm3; (13)Polarizability: 26.416×10-24cm3; (14)Surface Tension: 69.209 dyne/cm; (15)Density: 1.409 g/cm3; (16)Flash Point: 244.203 °C; (17)Enthalpy of Vaporization: 78.437 kJ/mol; (18)Boiling Point: 480.178 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)CO[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O
(2) InChI: InChI=1/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9?,10-,11+,12?,13+/m1/s1 Copy
(3) InChIKey: GKHCBYYBLTXYEV-DRYUAMBJBV