CAS No.25878-23-3,D-Iditol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25878-23-3
Name:	D-Iditol
Article Data:	34

Formula:	C₆H₁₄O₆
Molecular Weight:	182.174
Synonyms:	Iditol, D-(8CI);NSC 227898;
Density:	1.596 g/cm³
Melting Point:	76 °C
Boiling Point:	494.9 °C at 760 mmHg
Flash Point:	292.5 °C
Solubility:	Soluble in water
PSA:	121.38000
LogP:	-3.58540

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Specification

The D-Iditol, with the CAS registry number 25878-23-3, is also known as Iditol, D-. It belongs to the product categories of Biochemistry; Idose; Sugar Alcohols; Sugars. This chemical's molecular formula is C₆H₁₄O₆ and molecular weight is 182.171. Its IUPAC name is called (2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol.

Physical properties of D-Iditol: (1)ACD/LogP: -4.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.67; (4)ACD/LogD (pH 7.4): -4.67; (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: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 38.89 cm³; (14)Molar Volume: 114.1 cm³; (15)Surface Tension: 99.8 dyne/cm; (16)Density: 1.596 g/cm³; (17)Flash Point: 292.5 °C; (18)Enthalpy of Vaporization: 87.81 kJ/mol; (19)Boiling Point: 494.9 °C at 760 mmHg; (20)Vapour Pressure: 7.22E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(C(C(CO)O)O)O)O)O
(2)Isomeric SMILES: C([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O)O
(3)InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m1/s1
(4)InChIKey: FBPFZTCFMRRESA-ZXXMMSQZSA-N