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2535-38-8

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Basic Information
CAS No.: 2535-38-8
Name: GLUCOSE, D-[3-3H]-
Molecular Structure:
Molecular Structure of 2535-38-8 (GLUCOSE, D-[3-3H]-)
Formula: C6H11O6T
Molecular Weight: 182.164
Synonyms: D-[3-3H]Glucose;
Boiling Point: 527.1 °C at 760 mmHg
Flash Point: 286.7 °C
PSA: 118.22000
LogP: -3.37880
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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