Products Categories
| CAS No.: | 3402-98-0 |
|---|---|
| Name: | (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10O7 |
| Molecular Weight: | 194.141 |
| Synonyms: | D-ido-hexuronic acid;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid; |
| Density: | 1.748 g/cm3 |
| Boiling Point: | 553.4 °C at 760 mmHg |
| Flash Point: | 302.6 °C |
| PSA: | 135.29000 |
| LogP: | -3.28650 |
What can I do for you?
Get Best Price
The CAS registry number of D-Iduronic acid is 3402-98-0. The IUPAC name is (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid. In addition, the molecular formula is C6H10O7 and the molecular weight is 194.14. What's more, it should be stored in a cool and dry place.
Physical properties about D-Iduronic acid are: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.25; (4)ACD/LogD (pH 7.4): -5.19; (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: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 80.29 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 37.57 cm3; (15)Molar Volume: 111 cm3; (16)Polarizability: 14.89 ×10-24cm3; (17)Surface Tension: 107.9 dyne/cm; (18)Density: 1.748 g/cm3; (19)Flash Point: 302.6 °C; (20)Enthalpy of Vaporization: 95.88 kJ/mol; (21)Boiling Point: 553.4 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O
(2)InChI: InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5+/m1/s1
(3)InChIKey: IAJILQKETJEXLJ-LECHCGJUBM