Altruronic acid supplier | CasNO.84710-57-6

Name
(2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid
EINECS
CAS No. 84710-57-6
Article Data17
CAS DataBase
Density 1.748 g/cm³
Solubility
Melting Point
Formula C₆H₁₀O₇
Boiling Point 553.4 °C at 760 mmHg
Molecular Weight 194.141
Flash Point 302.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid;altruronic acid
PSA 135.29000
LogP -3.28650

Altruronic acid Specification

The CAS registry number of Altruronic acid is 84710-57-6. This chemical's molecular formula is C₆H₁₀O₇ and molecular weight is 194.1394. What's more, its IUPAC name is (2S,3S,4R,5S)-2,3,4,5-Detrahydroxy-6-oxohexanoic acid.

Physical properties about Altruronic acid are: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.25; (4)ACD/LogD (pH 7.4): -5.19; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 80.29 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 37.57 cm³; (15)Molar Volume: 111 cm³; (16)Surface Tension: 107.9 dyne/cm; (17)Density: 1.748 g/cm³; (18)Flash Point: 302.6 °C; (19)Enthalpy of Vaporization: 95.88 kJ/mol; (20)Boiling Point: 553.4 °C at 760 mmHg; (21)Vapour Pressure: 1.49E-14 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@H](O)C(=O)O
(2) InChI: InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5+/m1/s1
(3) InChIKey: IAJILQKETJEXLJ-STGXQOJABE

Product Name

(2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid

Altruronic acid Specification

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