CAS No.: 617-04-9 — Methyl alpha-D-mannopyranoside (α-甲基-D-甘露糖苷)

1. Primary Information

English name:	Methyl alpha-D-mannopyranoside
CAS No.:	617-04-9
Molecular formula:	C₇H₁₄O₆
Molecular weight:	194.18 g/mol
SMILES:	COC1C(C(C(C(O1)CO)O)O)O
Structural class:
Other identifiers:	alpha-methyl-D-mannose alpha-methylmannose alpha-methylmannoside beta-methylmannoside methyl alpha-D-mannopyranoside

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	超纯，99%	56	RT	in stock	-
Kehua Intelligence	25g	超纯，99%	152	RT	in stock	-
Kehua Intelligence	100g	超纯，99%	456	RT	in stock	-
Kehua Intelligence	500g	超纯，99%	1680	RT	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 -0.9139 0.4319 0.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6252 -2.3766 -1.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9155 -0.7013 -0.3781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.7444 1.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 2.0291 -0.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1312 -1.1380 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 -1.3043 -0.1115 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5808 -0.2227 -0.5209 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8409 -0.7256 -0.0885 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4112 1.0289 0.3420 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0433 1.4966 0.3501 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8489 -1.7382 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 2.4759 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 -1.7070 0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 0.0262 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -0.4488 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 1.8245 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1546 2.2878 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -2.0188 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 -2.6381 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1721 -3.1391 -0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 -1.0729 0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 0.5767 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7553 -1.7961 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 3.2151 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4334 1.6421 -0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 2.9544 -1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 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 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

4.2 InChI

InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1

4.3 InChIKey

HOVAGTYPODGVJG-VEIUFWFVSA-N

4.4 Canonical SMILES

COC1C(C(C(C(O1)CO)O)O)O

4.5 Isomeric SMILES

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

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)