Home Amines 1311259-89-8
1311259-89-8,MFCD28963714
Catalog No.:AA00JRMW

1311259-89-8 | Vitamin D2 (26,26,26,27,27,27-d6)

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Technical Information
Catalog Number:
AA00JRMW
Chemical Name:
Vitamin D2 (26,26,26,27,27,27-d6)
CAS Number:
1311259-89-8
Molecular Formula:
C28H38D6O
Molecular Weight:
402.6853
MDL Number:
MFCD28963714
SMILES:
O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C([2H])([2H])[2H])C([2H])([2H])[2H])C)C)C)/C1
Properties
Computed Properties
 
Complexity:
678  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
3  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
6  
Rotatable Bond Count:
5  
XLogP3:
7.4  

Literature
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SDS
Tags:1311259-89-8 Molecular Formula|1311259-89-8 MDL|1311259-89-8 SMILES|1311259-89-8 Vitamin D2 (26,26,26,27,27,27-d6)