CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals from water with 3 mol of water of crystallization. |
|---|---|
| Melting Point | 245 ºC |
| Solubility | Complete |
| Vapor Pressure | 2.3X10-21 mm Hg at 25 °C at 25 °C /Estimated/ |
| LogP | -3.2 |
| Henry's Law Constant | Henry's Law constant = 4.4X10-27 atm-cu m/mole at 25 °C /Estimated/ |
| Stability/Shelf Life | Leucovorin calcium injection, powder for injection, and tablets should be stored at 15-30 °C and protected from light. /Leucovorin calcium/ |
| Optical Rotation | Off-white to light beige amorphous powder. Odorless. Freely soluble in water. Specific optical rotation = +14.9 deg at 21 °C/D ( c= 1 in water). /Calcium salt pentahydrate/ |
| pH | pH of saturated solution in water = 2.8-3.0. |
| Dissociation Constants | pKa1= 3.1; pKa2= 4.8; pKa3= 10.4 |
| Collision Cross Section | 196.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | Crystals; decompose 240-250 °C; sparingly soluble in water. /dl-Folinic acid/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 473.4 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 473.16589610 g/mol |
| Monoisotopic Mass | 473.16589610 g/mol |
| Topological Polar Surface Area | 216 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 911 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-formyltetrahydrofolic acid is a formyltetrahydrofolic acid in which the formyl group is located at position 5. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a 5-formyltetrahydrofolate(2-).