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137-08-6

137-08-6 structural image
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
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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.

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