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35320-17-3

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Basic Information
CAS No.: 35320-17-3
Name: D-Ribitol-5-phosphate
Article Data: 4
Molecular Structure:
Molecular Structure of 35320-17-3 (D-Ribitol-5-phosphate)
Formula: C5H13O8P
Molecular Weight: 232.127
Synonyms: Ribitolphosphate (6CI);Ribitol, phosphate, D- (7CI);D-Ribitol-5-phosphate;
Density: 1.817 g/cm3
Boiling Point: 619.8 °C at 760 mmHg
Flash Point: 328.6 °C
PSA: 157.49000
LogP: -2.82930
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Specification

The CAS registry number of D-Ribitol,5-(dihydrogen phosphate) is 35320-17-3. This chemical is also named as D-Ribitol 5-phosphate. In addition, its molecular formula is C5H13O8P and molecular weight is 232.1257. Its systematic name is called 5-O-phosphono-D-ribitol.

Physical properties about D-Ribitol,5-(dihydrogen phosphate) are: (1)ACD/LogP: -3.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.19; (4)ACD/LogD (pH 7.4): -8.13; (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: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 42.91 cm3; (14)Molar Volume: 127.7 cm3; (15)Surface Tension: 111.8 dyne/cm; (16)Density: 1.817 g/cm3; (17)Flash Point: 328.6 °C; (18)Enthalpy of Vaporization: 105.32 kJ/mol; (19)Boiling Point: 619.8 °C at 760 mmHg.

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)CO
(2)InChI: InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
(3)InChIKey: VJDOAZKNBQCAGE-LMVFSUKVBA