-
Name
sodium S-(3-amino-2-hydroxypropyl) hydrogen phosphorothioate hydrate (1:1:4)
- EINECS
- CAS No. 63717-25-9
- Density
- Solubility
- Melting Point
- Formula C3H9NO4PS•Na•4H2O
- Boiling Point 498.3°C at 760 mmHg
- Molecular Weight 281.23
- Flash Point 255.2°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, POx, Na2O, and SOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
S-3-Amino-2-hydroxypropyl sodium hydrogen phosphorothioate tetrahydrate Chemical Properties
Molecule structure of S-3-Amino-2-hydroxypropyl sodium hydrogen phosphorothioate tetrahydrate (CAS NO.63717-25-9) :
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IUPAC Name: sodium (3-amino-2-hydroxypropyl)sulfanyl-hydroxyphosphinate tetrahydrate
Molecular Weight: 281.197511 g/mol
Molecular Formula: C3H17NNaO8PS
Boiling Point: 498.3 °C at 760 mmHg
Flash Point: 255.2 °C
Enthalpy of Vaporization: 88.27 kJ/mol
Vapour Pressure: 5.1E-12 mmHg at 25 °C
H-Bond Donor: 7
H-Bond Acceptor: 9
Rotatable Bond Count: 4
Exact Mass: 281.031018
MonoIsotopic Mass: 281.031018
Topological Polar Surface Area: 111
Heavy Atom Count: 15
Complexity: 147
Canonical SMILES: C(C(CSP(=O)(O)[O-])O)N.O.O.O.O.[Na+]
InChI: InChI=1S/C3H10NO4PS.Na.4H2O/c4-1-3(5)2-10-9(6,7)8;;;;;/h3,5H,1-2,4H2,(H2,6,7,8);;4*1H2/q;+1;;;;/p-1
InChIKey of S-3-Amino-2-hydroxypropyl sodium hydrogen phosphorothioate tetrahydrate (CAS NO.63717-25-9) : XWPYRLPMMKHYFK-UHFFFAOYSA-M
S-3-Amino-2-hydroxypropyl sodium hydrogen phosphorothioate tetrahydrate Toxicity Data With Reference
| 1. | orl-mus LD50:2500 mg/kg | JMCMAR Journal of Medicinal Chemistry. 18 (1975),803. | ||
| 2. | ipr-mus LD50:2200 mg/kg | JMCMAR Journal of Medicinal Chemistry. 18 (1975),803. |
S-3-Amino-2-hydroxypropyl sodium hydrogen phosphorothioate tetrahydrate Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, POx, Na2O, and SOx.
S-3-Amino-2-hydroxypropyl sodium hydrogen phosphorothioate tetrahydrate Specification
S-3-Amino-2-hydroxypropyl sodium hydrogen phosphorothioate tetrahydrate (CAS NO.63717-25-9) is also called Phosphorothioic acid, S-(3-amino-2-hydroxy)propyl ester, sodium salt, tetrahydrate .
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