CAS No.: 604-69-3 — - (五-O-乙酰基-β-D-吡喃葡萄糖)

1. Primary Information

English name:	-
CAS No.:	604-69-3
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	1,2,3,4,6-penta-O-acetyl-alpha-D-glucopyranoside beta-D-glucose pentaacetate glucose pentaacetate glucose pentaacetate, (alpha-D)-isomer glucose pentaacetate, (beta-(D))-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥99%	57	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥99%	280	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%	16	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	25	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	44	2-8℃	in stock	-
Kehua Intelligence	500g	≥98%	179	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 49 49 0 1 0 0 0 0 0999 V2000 -0.0254 0.1830 1.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 -0.9627 -1.6372 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 1.9869 -0.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6685 -0.4764 0.7788 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 -2.0371 1.1249 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 1.5404 -0.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 -2.4744 -2.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0968 3.8560 -0.1071 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9317 -1.1407 -1.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5387 -1.6071 3.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5094 0.3507 -0.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9713 -0.2321 -0.9255 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3815 1.1085 -0.4795 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4723 -1.0585 0.2634 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5658 0.9985 0.7242 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4481 -1.1147 1.4002 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9857 0.5747 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3759 -2.1724 -2.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 3.2419 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7068 -0.3844 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -2.1857 2.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7952 -3.1064 -2.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 3.7783 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 1.3076 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 0.8019 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -3.1806 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 2.4052 -1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 -0.0044 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 1.5589 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 -2.0933 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 1.9731 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9743 -1.4916 2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 -0.4043 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5971 0.5097 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -3.9334 -2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 -3.5034 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6765 -2.5873 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 4.7504 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 3.0974 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0527 3.9062 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 1.0157 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 1.6711 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 0.5783 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3049 -3.3002 2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0774 -2.8208 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -4.1490 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 2.2060 -2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 3.3600 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 2.4426 -2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 16 1 0 0 0 0 5 21 1 0 0 0 0 6 17 1 0 0 0 0 6 24 1 0 0 0 0 7 18 2 0 0 0 0 8 19 2 0 0 0 0 9 20 2 0 0 0 0 10 21 2 0 0 0 0 11 24 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 27 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate

4.2 InChI

InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1

4.3 InChIKey

LPTITAGPBXDDGR-IBEHDNSVSA-N

4.4 Canonical SMILES

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

4.5 Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

Coming soon

5.2 ¹H nuclear magnetic resonance (¹H NMR)

Coming soon

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)