Didocosyl hydrogen citrate supplier

Name
Didocosyl hydrogen citrate
EINECS 297-976-5
CAS No. 93776-46-6
Density 0.948 g/cm³
Solubility
Melting Point
Formula C₅₀H₉₆O₇
Boiling Point 819.2 °C at 760 mmHg
Molecular Weight 809.29
Flash Point 215.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms didocosyl hydrogen citrate
PSA
LogP

Didocosyl hydrogen citrate Specification

This chemical is called Didocosyl hydrogen citrate, and it can also be named as 5-docosoxy-3-docosoxycarbonyl-3-hydroxy-5-oxo-pentanoic acid. With the molecular formula of C₅₀H₉₆O₇, its molecular weight is 809.29. The CAS registry number of this chemical is 93776-46-6.

Other characteristics of the Didocosyl hydrogen citrate can be summarised as followings: (1)ACD/LogP: 21.73; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 19.96; (4)ACD/LogD (pH 7.4): 18.32 ; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 50; (8)Polar Surface Area: 110.13 Å²; (9)Index of Refraction: 1.475; (10)Molar Refractivity: 240.3 cm³; (11)Molar Volume: 853 cm³; (12)Polarizability: 95.26×10^-24cm³; (13)Surface Tension: 37 dyne/cm; (14)Density: 0.948 g/cm³; (15)Flash Point: 215.9 °C; (16)Enthalpy of Vaporization: 135.53 kJ/mol; (17)Boiling Point: 819.2 °C at 760 mmHg; (18)Vapour Pressure: 4.28E-31 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56-48(53)46-50(55,45-47(51)52)49(54)57-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h55H,3-46H2,1-2H3,(H,51,52
3.InChIKey: GAPKKWUPBDRGSG-UHFFFAOYAW

Product Name

Didocosyl hydrogen citrate

Didocosyl hydrogen citrate Specification

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