137-08-6
Product Name:
Calcium D-Pantothenate
Formula:
C9H17NO5.1/2Ca
Synonyms:
(R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine hemicalcium salt;D -Pantothenic acid hemicalcium salt;Calcium D -pantothenate;Vitamin B5
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 204.26 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
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. 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 | 476.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 476.1682861 g/mol |
| Monoisotopic Mass | 476.1682861 g/mol |
| Topological Polar Surface Area | 219 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 233 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Calcium pantothenate is a polymer.