Catalogue Number: DE585
3-Deoxy-2-C-(hydroxymethyl)-D-erythro-pentonic acid, calcium salt
(2S,4S)-2,4,5-Trihydroxy-2-(hydroxymethyl)pentanoic acid, calcium salt, Calcium α-D-isosaccharinate, Calcium α-D-glucoisosaccharinate, α-D-Isosaccharinic acid calcium salt
Categories
Properties
- CAS Number
- 16835-77-1
- Molecular Formula
- C6H12O6.1/2Ca
- Molecular Weight
- 200.21
- Chemical Purity
- Min. 97% [1H-NMR]
- Appearance
- Off-White Crystalline Solid
- Melting Point
- >300 °C (dec.)
- Solubility
- H2O (hot)
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to 8 °C.
- Shipping Conditions
- Ambient Temperature
- Tariff Code (United States)
- 2940006000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
Calcium (2S,4S)-2,4,5-trihydroxy-2-(hydroxymethyl)valerate
InChI
InChI=1S/2C6H12O6.Ca/c2*7-2-4(9)1-6(12,3-8)5(10)11;/h2*4,7-9,12H,1-3H2,(H,10,11);/q;;+2/p-2/t2*4-,6-;/m00./s1
InChI Key
JDNCPQAABKGYIO-FRCKEXEZSA-L
Smiles
O[C@@](C(=O)[O-])(C[C@@H](CO)O)CO.[Ca+2].O[C@@](C(=O)[O-])(C[C@@H](CO)O)CO