CAS No.: 26776-70-5 — 1,3-Dihydroxyacetone dimer (1,3-二羟基丙酮二聚体)

1. Primary Information

English name:	1,3-Dihydroxyacetone dimer
CAS No.:	26776-70-5
Molecular formula:	C₆H₁₂O₆
Molecular weight:	180.16 g/mol
SMILES:	C1C(OCC(O1)(CO)O)(CO)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10g	98%	56	2-8℃	in stock	-
Kehua Intelligence	25g	98%	104	2-8℃	in stock	-
Kehua Intelligence	100g	98%	280	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 1 0 0 0 0 0999 V2000 0.9120 -1.0604 0.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9132 1.0576 -0.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 0.8713 1.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -0.8742 -1.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -0.5310 0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 0.2859 0.0234 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3911 -0.2889 -0.0251 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3739 -1.1402 0.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3726 1.1375 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 0.2557 -0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 -0.2589 0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -0.8234 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -2.1954 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 2.1928 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 0.8154 -1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1457 1.2590 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 -0.1888 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 0.1728 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 -1.2599 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 1.2928 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 -0.6039 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 -1.4198 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 1.4319 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 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

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol

4.2 InChI

InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2

4.3 InChIKey

KEQUNHIAUQQPAC-UHFFFAOYSA-N

4.4 Canonical SMILES

C1C(OCC(O1)(CO)O)(CO)O

4.5 Isomeric SMILES

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)