1,3-Propanediol,1-(dihydrogen phosphate) supplier

Name
3-hydroxypropane-1-phosphate
EINECS
CAS No. 13507-42-1
Article Data5
CAS DataBase
Density 1.543 g/cm³
Solubility
Melting Point
Formula C₃H₉O₅P
Boiling Point 384.7 °C at 760 mmHg
Molecular Weight 156.075
Flash Point 186.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxypropane-1-phosphate;
PSA 96.80000
LogP -0.52190

1,3-Propanediol,1-(dihydrogen phosphate) Specification

The 1,3-Propanediol,1-(dihydrogen phosphate), with the CAS registry number 13507-42-1, is also known as 3-Hydroxypropane-1-phosphate. This chemical's molecular formula is C₃H₉O₅P and molecular weight is 156.0743. What's more, both its IUPAC name and systematic name are the same which is 3-Hydroxypropyl dihydrogen phosphate.

Physical properties about 1,3-Propanediol,1-(dihydrogen phosphate) are: (1)ACD/LogP: -2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.3; (4)ACD/LogD (pH 7.4): -6.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.8 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 29.17 cm³; (15)Molar Volume: 101 cm³; (16)Polarizability: 11.56×10^-24 cm³; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 186.4 °C; (20)Enthalpy of Vaporization: 73.25 kJ/mol; (21)Boiling Point: 384.7 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(OCCCO)O
(2) InChI: InChI=1/C3H9O5P/c4-2-1-3-8-9(5,6)7/h4H,1-3H2,(H2,5,6,7)
(3) InChIKey: HYCSHFLKPSMPGO-UHFFFAOYAR

Product Name

3-hydroxypropane-1-phosphate

1,3-Propanediol,1-(dihydrogen phosphate) Specification

Related Products

Hot Products