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15978-08-2

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Basic Information
CAS No.: 15978-08-2
Name: D-fructose 1-(dihydrogen phosphate)
Article Data: 6
Molecular Structure:
Molecular Structure of 15978-08-2 (D-fructose 1-(dihydrogen phosphate))
Formula: C6H13O9P
Molecular Weight: 260.138
Synonyms: Fructose,1-(dihydrogen phosphate), D- (8CI);D-Fructose 1-phosphate;Fructose1-phosphate;1-O-phosphono-D-fructofuranose;Fructose-1-monophosphate;
EINECS: 240-113-4
Density: 1.936 g/cm3
Boiling Point: 591.6 °C at 760 mmHg
Flash Point: 311.6 °C
PSA: 166.72000
LogP: -3.10280
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Specification

The D-Fructose,1-(dihydrogen phosphate), with the CAS registry number 15978-08-2, is also known as D-Fructose 1-phosphate. Its EINECS number is 240-113-4. This chemical's molecular formula is C6H13O9P and molecular weight is 260.14. What's more, its systematic name is 1-O-phosphono-D-fructofuranose.

Physical properties of D-Fructose,1-(dihydrogen phosphate) are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 166.72 Å2; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 47.34 cm3; (13)Molar Volume: 134.3 cm3; (14)Polarizability: 18.76×10-24cm3; (15)Surface Tension: 115.1 dyne/cm; (16)Density: 1.936 g/cm3; (17)Flash Point: 311.6 °C; (18)Enthalpy of Vaporization: 101.28 kJ/mol; (19)Boiling Point: 591.6 °C at 760 mmHg; (20)Vapour Pressure: 1.83E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1(COP(O)(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O
(2)InChI: InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1
(3)InChIKey: RHKKZBWRNHGJEZ-VRPWFDPXSA-N