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511-28-4

511-28-4 structural image
Product Name: VitaMin D4
Formula: C28H46O
Synonyms: Cholecalciferol;Calciol;Vitamin D4;(+)-Vitamin D3;(3β,5Z,7E)-9,10-Secoergosta-5,7,10(19)-trien-3-ol
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H330:Acute toxicity,inhalation
H372:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 398.7 g/mol
XLogP3 8.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 6
Exact Mass 398.354866087 g/mol
Monoisotopic Mass 398.354866087 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 639
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Vitamin D4 is it is present in mushrooms. It has a role as a fungal metabolite. It is a vitamin D and a seco-ergostane.