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Home Amines 57918-08-8
57918-08-8,MFCD15071184
Catalog No.:AA00EEXL

57918-08-8 | Vitamin D3 β-D-Glucuronide

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  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00EEXL
Chemical Name:
Vitamin D3 β-D-Glucuronide
CAS Number:
57918-08-8
Molecular Formula:
C33H52O7
Molecular Weight:
560.7618
MDL Number:
MFCD15071184
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@H](CCC1=C)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C
Properties
Properties
 
MP:
>120ºC (dec.)  

Computed Properties
 
Complexity:
970  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
9  
XLogP3:
6.6  

Literature
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Additional Info:
SDS
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Tags:57918-08-8 Molecular Formula|57918-08-8 MDL|57918-08-8 SMILES|57918-08-8 Vitamin D3 β-D-Glucuronide