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82259-50-5

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Basic Information
CAS No.: 82259-50-5
Name: D-ALLOSE-6-PHOSPHATE
Article Data: 32
Molecular Structure:
Molecular Structure of 82259-50-5 (D-ALLOSE-6-PHOSPHATE)
Formula: C6H13O9P
Molecular Weight: 260.138
Synonyms: Allose,6-phosphate (7CI);D-Allose 6-phosphate;
Density: 1.832 g/cm3
Boiling Point: 667.8 °C at 760 mmHg
Flash Point: 357.7 °C
PSA: 166.72000
LogP: -3.10440
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Specification

The D-Allose,6-(dihydrogen phosphate), with the CAS registry number 82259-50-5, is also known as D-Allose 6-phosphate. This chemical's molecular formula is C6H13O9P and molecular weight is 260.1358. Its systematic name is called 6-O-phosphono-D-allose.

Physical properties of D-Allose,6-(dihydrogen phosphate): (1)ACD/LogP: -3.24; (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: 11; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 47.69 cm3; (12)Molar Volume: 141.9 cm3; (13)Surface Tension: 111.6 dyne/cm; (14)Density: 1.832 g/cm3; (15)Flash Point: 357.7 °C; (16)Enthalpy of Vaporization: 112.35 kJ/mol; (17)Boiling Point: 667.8 °C at 760 mmHg; (18)Vapour Pressure: 1.1E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
(2)InChI: InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5-,6+/m0/s1
(3)InChIKey: VFRROHXSMXFLSN-BGPJRJDNBF