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CAS No.: | 2255-14-3 |
---|---|
Name: | alpha-D-Galactose1-phosphate(and/orunspecifiedsalts) |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C6H13O9P |
Molecular Weight: | 260.138 |
Synonyms: | Galactopyranose,1-(dihydrogen phosphate), a-D- (7CI,8CI);a-D-Galactopyranose, 1-phosphate (6CI);D-Galactose 1-phosphate;Galactitol, 1-(dihydrogen phosphate);Galactopyranose, 1-phosphate;Galactose1-phosphate;a-D-Galactopyranosylphosphate;a-D-Galactose 1-phosphate;a-D-Galactosyl phosphate; |
EINECS: | 200-435-8 |
Density: | 1.9 g/cm3 |
Boiling Point: | 603 °C at 760 mmHg |
Flash Point: | 318.5 °C |
PSA: | 166.72000 |
LogP: | -3.10440 |
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The α-D-Galactopyranose, 1-(dihydrogenphosphate), with the CAS registry number 2255-14-3, is also known as 1-(Dihydrogen phosphate) galactitol. This chemical's molecular formula is C6H13O9P and molecular weight is 260.1358. What's more, its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dihydrogen phosphate.
Physical properties about α-D-Galactopyranose, 1-(dihydrogenphosphate) are: (1)ACD/LogP: -0.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.26; (4)ACD/LogD (pH 7.4): -5.18; (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: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 100.72 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 47.1 cm3; (15)Molar Volume: 136.4 cm3; (16)Polarizability: 18.67×10-24cm3; (17)Surface Tension: 112.6 dyne/cm; (18)Density: 1.9 g/cm3; (19)Flash Point: 318.5 °C; (20)Enthalpy of Vaporization: 102.9 kJ/mol; (21)Boiling Point: 603 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-17 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)O
(2) InChI: InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
(3) InChIKey: HXXFSFRBOHSIMQ-FPRJBGLDBJ