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528-81-4

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Basic Information
CAS No.: 528-81-4
Name: (5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]furan-2(5H)-one (non-preferred name)
Article Data: 5
Molecular Structure:
Molecular Structure of 528-81-4 ((5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]furan-2(5H)-one (non-preferred name))
Formula: C6H8O5
Molecular Weight: 160.1247
Synonyms: 6-Deoxy-L-ascorbic acid;L-Ascorbic acid, 6-deoxy-;6-Desoxy-L-ascorbic acid;Ascorbic acid, 6-deoxy-, L-;
Density: 1.728 g/cm3
Boiling Point: 417.573 °C at 760 mmHg
Flash Point: 183.221 °C
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    The Ascorbic acid, 6-deoxy- is an organic compound with the formula C6H8O5. The systematic name of this chemical is (5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]furan-2(5H)-one (non-preferred name). With the CAS registry number 528-81-4, it is also na

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Specification

The Ascorbic acid, 6-deoxy- is an organic compound with the formula C6H8O5. The systematic name of this chemical is (5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]furan-2(5H)-one (non-preferred name). With the CAS registry number 528-81-4, it is also named as 6-Deoxy-L-ascorbic Acid.

Physical properties about Ascorbic acid, 6-deoxy- are: (1)ACD/LogP: -1.90; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 86.99 Å2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 33.726 cm3; (14)Molar Volume: 92.618 cm3; (15)Polarizability: 13.37×10-24cm3; (16)Surface Tension: 100.566 dyne/cm; (17)Density: 1.729 g/cm3; (18)Flash Point: 183.221 °C; (19)Enthalpy of Vaporization: 77.509 kJ/mol; (20)Boiling Point: 417.573 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O\C1=C(/O)C(=O)O[C@@H]1[C@H](C)OCopyCopied ; (2)InChI: InChI=1/C6H8O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2,5,7-9H,1H3/t2-,5+/m0/s1
(3)InChIKey: LGBPWIAXPVUTMY-JLAZNSOCBH
(4)Std. InChI: InChI=1S/C6H8O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2,5,7-9H,1H3/t2-,5+/m0/s1
(5)Std. InChIKey: LGBPWIAXPVUTMY-JLAZNSOCSA-N