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Home> Encyclopedia >   /  Other Inorganic Salts  /  Phosphate  /  Pharmaceutical Intermediates  /  Feed Grade Minerals & Trace Elements  /  Food Additives
(3S,8S,9S,10R,13S,14S,17R)-17-((S)-1-((4R,5R)-2,2-dimethyl-5-((S)-3-methylbutan-2-yl)-1,3-dioxolan-4-yl)ethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol structure
(3S,8S,9S,10R,13S,14S,17R)-17-((S)-1-((4R,5R)-2,2-dimethyl-5-((S)-3-methylbutan-2-yl)-1,3-dioxolan-4-yl)ethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol structure

(3S,8S,9S,10R,13S,14S,17R)-17-((S)-1-((4R,5R)-2,2-dimethyl-5-((S)-3-methylbutan-2-yl)-1,3-dioxolan-4-yl)ethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Iupac Name:pentacalcium;hydroxide;triphosphate
CAS No.:7758-87-4
Molecular Weight:310.18
1. Names and Identifiers
1.1 Name
(3S,8S,9S,10R,13S,14S,17R)-17-((S)-1-((4R,5R)-2,2-dimethyl-5-((S)-3-methylbutan-2-yl)-1,3-dioxolan-4-yl)ethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
1.2 CAS No.
7758-87-4
1.3 CID
24456
1.4 Molecular Formula
C10H14O2S2 (isomer)
1.5 Inchi
InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
1.6 InChkey
QORWJWZARLRLPR-UHFFFAOYSA-H
1.7 Canonical Smiles
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
1.8 Isomers Smiles
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
2. Properties
3.1 Melting point
1670°C
3.1 Refractive index
1.63
3.1 Precise Quality
501.67600
3.1 PSA
311.24000
3.1 logP
0.98120
3. Safety and Handling
4.1 Risk Statements
36/37/38
4.1 Safety Statements
26-36-24/25-22
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:310.18g/mol
  • Molecular Formula:C10H14O2S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:309.7946135
  • Monoisotopic Mass:309.7946135
  • Complexity:36.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:173
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:5
6. Question & Answer
  • There are two things that happen when a solid dissolves (may more than two). 1) the crystal lattice is disrupted. This takes energy, typically, and is an endothermic process. 2) the ions comprising the lattice become hydrated. In the case of calcium phosphate, this is an exothermic process and the ...
  • Why does calcium phosphate dissolve at low p H p H ? What makes its solubility p H p H dependent? This question arises after reading about the calcium phosphate bridges in casein micelles and how they 'break apart' at a p H p H below 6, such that the micelle is destabilised and falls apart .
  • Firstly, I apologize about both the inorganic and the organic tags on this post. I couldn't get a proper tag. If anyone can suggest a better tag, please edit the post. I'm making cooking gel using alcohol and calcium acetate. The purpose of the calcium acetate is to make a thicker, gel like solutio...
  • For what reason does Calcium Phosphate dissolute at low pH? What makes it pH dependent? This question arised after reading about the calcium phosphate bridges in casein micelles and how they 'break apart' at a pH below 6, such that the micelle destabilises and essentially falls apart.
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