CAS No.10504-35-5,Xyloascorbic acid, D- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10504-35-5
Name:	Xyloascorbic acid, D-
Article Data:	4

Formula:	C₆H₈O₆
Molecular Weight:	176.126
Synonyms:	D-Lyxoascorbic acid;D-Xyloascorbic acid;
Density:	1.954 g/cm³
Boiling Point:	552.672 °C at 760 mmHg
Flash Point:	238.199 °C
PSA:	107.22000
LogP:	-1.40740

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Specification

The D-Ascorbic acid, with the CAS registry number 10504-35-5, is also known as D-Lyxoascorbic acid and D-Xyloascorbic acid. This chemical's molecular formula is C₆H₈O₆ and molecular weight is 176.1241. What's more, its IUPAC name is called (2S)-2-[(1R)-1,2-Dihydroxyethyl]-4,5-dihydroxyfuran-3-one.

Physical properties about D-Ascorbic acid are: (1)ACD/LogP: -2.78; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 107.22 Å²; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 35.261 cm³; (13)Molar Volume: 90.124 cm³; (14)Surface Tension: 140.562 dyne/cm; (15)Density: 1.954 g/cm³; (16)Flash Point: 238.199 °C; (17)Enthalpy of Vaporization: 95.777 kJ/mol; (18)Boiling Point: 552.672 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O\C1=C(/O)C(=O)O[C@H]1[C@H](O)CO
(2) InChI: InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1
(3) InChIKey: CIWBSHSKHKDKBQ-MVHIGOERBK