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CAS No.: | 13507-42-1 |
---|---|
Name: | 3-hydroxypropane-1-phosphate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C3H9O5P |
Molecular Weight: | 156.075 |
Synonyms: | 3-Hydroxypropane-1-phosphate; |
Density: | 1.543 g/cm3 |
Boiling Point: | 384.7 °C at 760 mmHg |
Flash Point: | 186.4 °C |
PSA: | 96.80000 |
LogP: | -0.52190 |
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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