14049-06-0

The D-Glucose-5-C-t is an organic compound with the formula C₆H₁₁O₆T. The IUPAC name of this chemical is (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-5-tritiohexanal. With the CAS registry number 14049-06-0, it is also named as L-(C⁵-³H)idose.

Physical properties about D-Glucose-5-C-t are: (1)ACD/LogP: -3.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -3.17; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.22 Å²; (13)Flash Point: 286.7 °C; (14)Enthalpy of Vaporization: 92.22 kJ/mol; (15)Boiling Point: 527.1 °C at 760 mmHg; (16)Vapour Pressure: 2.59E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@H](O)[C@@H](O)[C@H](O)[C@]([3H])(O)CO
(2)InChI: InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i4T
(3)InChIKey: GZCGUPFRVQAUEE-CPMQAFPAFA
(4)Std. InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i4T
(5)Std. InChIKey: GZCGUPFRVQAUEE-CPMQAFPASA-N