[email protected]
CAS 287389-42-8 CITRIC ACID-13C6 molecular structure lightbox
CAS RN: 287389-42-8

CITRIC ACID-13C6

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 1mg In stock Inquiry
Batchno.20250710 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS287389-42-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

287389-42-8 / 2-hydroxypropane-1,2,3-tricarboxylic acid

Standard CAS: 287389-42-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
287389-42-8
Multi CAS
Yes
Molecular Formula
C6H8O7
Molecular Weight
192.120000
Exact Mass
192.027003
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KRKNYBCHXYNGOX-UHFFFAOYSA-N

Physical Properties

Melting Point
307 °F (anhydrous) (NTP, 1992) 153 °C
Boiling Point
Decomposes (NTP, 1992) Decomposes
Density
1.54 at 68 °F (USCG, 1999) - Denser than water; will sink 1.665 g/cu cm at 20 °C BULK DENSITY: 56.2 LB/CU FT; HEAT OF SOLN: -3.9 KCAL/MOLE; BUFFERING INDEX: 2.46; STD FREE ENERGY OF ANION FORMATION: -278.8 KCAL FOR AQ SOLN @ 25 °C Density: 1.542 g/cu cm /Citric acid monohydrate/ White, odorless crystals, granules or powder; cool, saline taste. Stable in air, becomes anhydrous at 150 °C. Density: 1.814. Soluble in 3 parts water, 0.6 parts boiling water. Insoluble in alcohol. The aqueous solution is slightly alkaline to litmus. pH about 8 /Sodium citrate dihydrate/
Physical Description
Citric acid appears as colorless, odorless crystals with an acid taste. Denser than water. (USCG, 1999) NKRA; Pellets or Large Crystals; Pellets or Large Crystals, Liquid; Dry Powder, Pellets or Large Crystals; Dry Powder, Liquid; Dry Powder; Liquid; Liquid, Other Solid; Other Solid Citric acid is a white or colourless, odourless, crystalline solid, having a strongly acid taste. The monohydrate effloresces in dry air Colorless and odorless crystals , it has an acid taste; [CAMEO] Deliquescent; [CHEMINFO] Solid
Appearance
Crystals; monoclinic holohedra; crystallizes from hot concentrated aqueous solution Colorless, translucent crystals or powder Rhombic crystals from water with 1 mol of water of crystallization
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
37.09
TPSA
132.13

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.1
XLogP3
-1.7
Consensus LogP
-1.35
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us