CAS No.: 13403-14-0 — methyl beta-D-fructofuranoside (Methyl β-D-fructofuranoside)

1. Primary Information

English name:	methyl beta-D-fructofuranoside
CAS No.:	13403-14-0
Molecular formula:	C₇H₁₄O₆
Molecular weight:	194.18 g/mol
SMILES:	COC1(C(C(C(O1)CO)O)O)CO
Structural class:
Other identifiers:	(alpha-D)-isomer of methylfructoside 1-O-methylfructofuranose methyl-alpha-D-fructofuranoside methyl-beta-D-fructofuranoside methyl-beta-D-fructoside

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	2400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 27 0 1 0 0 0 0 0999 V2000 0.1206 -0.9795 -0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 -0.7563 1.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 1.9643 0.8892 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 1.9571 -0.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 0.5541 -0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 -0.6347 0.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.2209 -0.2281 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3405 1.1832 -0.0927 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0978 0.8759 0.2659 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3810 -0.3171 -0.6400 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1897 -0.2601 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 -1.3015 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 -2.0645 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 1.7266 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 0.6415 1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 0.0183 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 -1.2624 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.1446 -2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5335 -2.1548 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9941 -1.7026 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 2.7883 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8439 2.1899 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 -2.5297 1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 -2.6986 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 -2.0378 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 0.2056 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -0.3183 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol

4.2 InChI

InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1

4.3 InChIKey

JPHVNZOOBXUCDJ-MVIOUDGNSA-N

4.4 Canonical SMILES

COC1(C(C(C(O1)CO)O)O)CO

4.5 Isomeric SMILES

CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)