CAS No.: 48149-72-0 — Ally a-D-galactopyranoside (烯丙基-Α-D-吡喃半乳糖苷)

1. Primary Information

English name:	Ally a-D-galactopyranoside
CAS No.:	48149-72-0
Molecular formula:	C₉H₁₆O₆
Molecular weight:	220.22 g/mol
SMILES:	C=CCOC1C(C(C(C(O1)CO)O)O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	BR,96%	208	RT	in stock	-
Kehua Intelligence	1g	BR,96%	332	RT	in stock	-
Kehua Intelligence	5g	BR,96%	1600	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 31 0 1 0 0 0 0 0999 V2000 -0.0490 0.7337 1.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 -1.4197 -1.0621 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 1.0790 0.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -1.1001 0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9756 -2.7843 0.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 3.2526 0.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6478 -0.8623 -0.7585 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7331 0.6666 -0.7457 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1842 -1.3768 0.6044 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4087 1.2687 -0.2585 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1150 -0.6871 1.0283 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4789 2.7850 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4072 -0.4744 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 -0.9452 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 -0.1359 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -1.2014 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 1.0313 -1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 -1.1872 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 1.0290 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -0.9973 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 3.0951 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 3.2677 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2003 -1.0632 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 1.9990 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8053 -3.1910 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 0.6166 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -0.7583 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 2.8093 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -2.0113 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9807 -0.5402 -1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 0.9350 -1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 23 1 0 0 0 0 3 8 1 0 0 0 0 3 24 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6+,7+,8-,9+/m1/s1

4.3 InChIKey

XJNKZTHFPGIJNS-NXRLNHOXSA-N

4.4 Canonical SMILES

C=CCOC1C(C(C(C(O1)CO)O)O)O

4.5 Isomeric SMILES

C=CCO[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)