CAS No.20246-53-1,(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20246-53-1
Name:	(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Article Data:	119
Cas Database

Formula:	C₆H₁₂O₇
Molecular Weight:	196.157
Synonyms:	L-gulonic acid;D-gulonic acid;
Density:	1.763 g/cm³
Boiling Point:	673.6 °C at 760 mmHg
Flash Point:	375.2 °C
PSA:	138.45000
LogP:	-3.49310

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Specification

The CAS register number of Gulonic acid is 20246-53-1. It also can be called as L-gulonic acid and the systematic name about this chemical is D-gulonic acid. The molecular formula about this chemical is C₆H₁₂O₇ and the molecular weight is 196.1553.

Physical properties about Gulonic acid are: (1)ACD/LogP: -3.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.88; (4)ACD/LogD (pH 7.4): -6.87; (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: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 72.45Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 38.91 cm³; (15)Molar Volume: 111.2 cm³; (16)Polarizability: 15.42x10^-24cm³; (17)Surface Tension: 116.9 dyne/cm; (18)Flash Point: 375.2 °C; (19)Enthalpy of Vaporization: 113.2 kJ/mol; (20)Boiling Point: 673.6 °C at 760 mmHg; (21)Vapour Pressure: 4.95E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m1/s1
(3)InChIKey: RGHNJXZEOKUKBD-KKQCNMDGBW
(4)Std. InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m1/s1
(5)Std. InChIKey: RGHNJXZEOKUKBD-KKQCNMDGSA-N