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Basic Information
CAS No.: 62860-10-0
Name: 1-Thio-alpha-D-glucopyranose pentaacetate
Article Data: 44
Molecular Structure:
Molecular Structure of 62860-10-0 (1-Thio-alpha-D-glucopyranose pentaacetate)
Formula: C16H22 O10 S
Molecular Weight: 406.411
Synonyms: a-D-Glucopyranose, 1-thio-,pentaacetate (9CI); 2,3,4,6-Tetra-O-acetyl-1-S-acetyl-1-thio-a-D-glucopyranose
Density: 1.32g/cm3
Melting Point: 121-122 °C
Boiling Point: 468.1°Cat760mmHg
Flash Point: 222.3°C
PSA: 156.80000
LogP: 0.34920
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Chemistry

Molecular Structure of 1-Thio-alpha-D-glucopyranose pentaacetate (CAS No.62860-10-0):

Molecular Formula: C16H22O10S 
Molecular Weight: 406.4049
CAS No: 62860-10-0
H bond acceptors: 10
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 156.8 Å2
Index of Refraction: 1.508
Molar Refractivity: 91.27 cm3
Molar Volume: 305.7 cm3
Surface Tension: 49.5 dyne/cm
Density: 1.32 g/cm3
Flash Point: 222.3 °C
Enthalpy of Vaporization: 73.02 kJ/mol
Boiling Point: 468.1 °C at 760 mmHg
Vapour Pressure: 6.17E-09 mmHg at 25°C
InChI: InChI=1/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(26-12)27-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey: CFAJEDWNNGFOQV-IBEHDNSVBC
Std. InChI: InChI=1S/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(26-12)27-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
Std. InChIKey: CFAJEDWNNGFOQV-IBEHDNSVSA-N 
IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-acetylsulfanyloxan-2-yl]methyl acetate 

Specification

  1-Thio-alpha-D-glucopyranose pentaacetate (CAS No.62860-10-0), its synonyms are Alpha-D-Glucopyranose, 1-thio-, 1,2,3,4,6-pentaacetate ; Alpha-D-Glucopyranose, 1-thio-, pentaacetate .