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D-Glucose-3-t

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Name

D-Glucose-3-t

EINECS N/A
CAS No. 2535-38-8 Density N/A
PSA 118.22000 LogP -3.37880
Solubility N/A Melting Point N/A
Formula C6H11O6T Boiling Point 527.1 °C at 760 mmHg
Molecular Weight 182.164 Flash Point 286.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2535-38-8 (GLUCOSE, D-[3-3H]-) Hazard Symbols N/A
Synonyms

D-[3-3H]Glucose;

 

D-Glucose-3-t Specification

The D-Glucose-3-t, with the CAS registry number 2535-38-8, is also known as D-[3-3H]Glucose. This chemical's molecular formula is C6H11O6T and molecular weight is 182.16. What's more, its IUPAC name is (2R, 3S, 4R, 5R)-2, 3, 4, 5, 6-Pentahydroxy-3-tritiohexanal.

Physical properties about D-Glucose-3-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@@]([3H])(O)[C@H](O)[C@H](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/i5T
(3) InChIKey: GZCGUPFRVQAUEE-NKKIJKBOFG

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