Pro-xylane CAS#: 439685-79-7; ChemWhat Code: 1417900

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NamePro-xylane
IUPAC Name(2S,3R,4S,5R)-2-(2-hydroxypropyl)oxane-3,4,5-triol 
Molecular StructureStructure of Pro-xylane CAS# 439685-79-7
CAS Registry Number 439685-79-7
SynonymsPro-xylane
439685-79-7
Hydroxypropyl tetrahydropyrantriol
Mexoryl SBB
Pro-xylane (pharmaceutical)
(2S,3R,4S,5R)-2-(2-hydroxypropyl)tetrahydro-2H-pyran-3,4,5-triol
4U3GMG1OT1
(2S,3R,4S,5R)-2-(2-hydroxypropyl)oxane-3,4,5-triol
UNII-4U3GMG1OT1
CHEMBL479843
SCHEMBL1660373
L-Gluco-octitol, 1,5-anhydro-6,8-dideoxy-, (7XI)-
DTXSID10196004
WLZ2819
KOGFZZYPPGQZFZ-QVAPDBTGSA-N
ER4017
AKOS040742450
DB13121
ER-4017
c-beta-d-xylopyranoside-2-hydroxypropane
TS-08006
HY-108036
CS-0027204
HYDROXYPROPYL TETRAHYDROPYRANTRIOL [INCI]
pro-xylane pound>>Hydroxypropyl tetrahydropyrantriol
Nano Liposomal HYDROXYPROPYL TETRAHYDROPYRANTRIOL
Q27260499
(2S,3R,4S,5R)-2-(2-hydroxypropyl)oxane-3,4,5-trio
L-GLUCO-OCTITOL, 1,5-ANHYDRO-6,8-DIDEOXY-, (7.XI.)-
Molecular FormulaC8H16O5 
Molecular Weight192.21
InChIInChI=1S/C8H16O5/c1-4(9)2-6-8(12)7(11)5(10)3-13-6/h4-12H,2-3H2,1H3/t4?,5-,6+,7+,8+/m1/s1
InChI KeyKOGFZZYPPGQZFZ-QVAPDBTGSA-N
Isomeric SMILESCC(C[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O
Patent Information
Patent IDTitlePublication Date
WO2018/114850COSMETIC COMPOSITION COMPRISING ONE OR MORE POLAR OIL(S), A C2-C6 ALIPHATIC MONOALCOHOL AND A POLYOL, AT LEAST ONE HYDROPHILIC ACTIVE AGENT, AND COMPRISING LESS THAN 7% BY WEIGHT OF WATER 2018
WO2017/68068USE OF GLYCOSIDES TO INCREASE HAIR MASS2017
US2008/3191Composition combining a C-glycoside derivative and an emulsifying polymer2008
WO2008/4165USE OF C-GLYCOSIDE DERIVATIVES AS PRO-DESQUAMATING ACTIVE AGENTS2008

Physical Data

Appearance30% pro-xylane solution

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)
Chemical shifts, Spectrum1Hwater-d2
Chemical shifts1Hwater-d2
Spectrum13C
Chemical shifts, Spectrum13C
Chemical shifts1H

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Pro-xylane CAS# 439685-79-7
Route of Synthesis (ROS) of Pro-xylane CAS# 439685-79-7
ConditionsYield
With Pd(OH)2/C; hydrogen In ethyl acetate at 20℃; under 620.594 Torr; Schlenk technique;

Experimental Procedure
1-6 Step c, Synthesis of Bosein (2S,3R,4S,5R)-2-(2-hydroxypropyl)tetrahydro-2H-pyran-3,4,5-triol:
Add 20% Pd(OH) to the Schlenk bottle2/C(30mg), replaced with nitrogen three times, vacuumed, the 1-((2S,3S,4S,5R)-3,4,5-tris(benzyloxy)tetrahydro-2H-pyran-2- Ethyl) propan-2-ol (3.0g, 6.5mmol) in ethyl acetate (30mL) was added to the Schlenk flask, reacted at room temperature under hydrogen (12psi) atmosphere for 10 hours, filtered, concentrated to obtain a syrupy (2S, 3R ,4S,5R)-2-(2-hydroxypropyl)tetrahydro-2H-pyran-3,4,5-triol (1.24g, yield 99%).		99%
With Pd/C; hydrogen

Experimental Procedure
(3)The benzyl group in the product obtained in step (2) is removed by catalytic hydrogenation with palladium carbon to obtain Bosein, (2S,3R,4S,5R)-2-(2-hydroxypropyl)tetrahydro-2H-pyran -3,4,5-triol.

Safety and Hazards

Pictogram(s)
Signal
GHS Hazard StatementsNot Classified
Precautionary Statement Codes

Other Data

Druglikeness
Lipinski rules component
Molecular Weight192.212
logP-1.202
HBA5
HBD4
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)90.15
Rotatable Bond (RotB)2
Matching Veber Rules2
Use Pattern
Anti-aging, promotes skin cell renewal, helps repair and rebuild the skin’s collagen and glycosaminoglycans, thereby reducing wrinkles and fine lines. Moisturizing and nourishing, promotes the synthesis of collagen, repairs damaged skin; enhances overall skin health.

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