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2,3,4,5,6-Pentahydroxyheptanoic acid

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2,3,4,5,6-Pentahydroxyheptanoic acid

EINECS N/A
CAS No. 5395-62-0 Density 1.64 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C7H14O7 Boiling Point 631.9 °C at 760mmHg
Molecular Weight 210.1819 Flash Point 350 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5395-62-0 (7-deoxyheptonic acid) Hazard Symbols N/A
Synonyms

N/A

 

2,3,4,5,6-Pentahydroxyheptanoic acid Specification

The CAS registry number of 2,3,4,5,6-Pentahydroxyheptanoic acid is 5395-62-0. Its molecular formula is C7H14O7 and molecular weight is 210.1819. Its systematic name is called 7-deoxyheptonic acid.

Physical properties about this chemical are: (1)ACD/LogP: -2.83; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 10; (6)Index of Refraction: 1.594; (7)Molar Refractivity: 43.51 cm3; (8)Molar Volume: 128.1 cm3; (9)Surface Tension: 97.9 dyne/cm; (10)Density: 1.64 g/cm3; (11)Enthalpy of Vaporization: 107.08 kJ/mol; (12)Boiling Point: 631.9 °C at 760 mmHg; (13)Flash Point: 350 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)C(O)C(O)C(O)C(O)C
(2)InChI: InChI=1/C7H14O7/c1-2(8)3(9)4(10)5(11)6(12)7(13)14/h2-6,8-12H,1H3,(H,13,14)
(3)InChIKey: GGWZPCSVNVCONW-UHFFFAOYAJ

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