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5,6-trans-Vitamin D2

CAT: 1568-C04615Size: 1 mgDry Ice: YesHazardous: No
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CAT#:1568-C04615Size:1 mg
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CAS Number
51744-66-2
Synonyms
5,6-trans-Ergocalciferol, 5,6-trans-Calciferol, 5,6-trans-Ercalciol
SKU
C04615-1mg
Additionnal Information
5,6-trans-Vitamin D2 is the isomer of Vitamin D2.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

(5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL

5,6-trans-Vitamin D2 is a vitamin D.

CAS Number51744-66-2
PubChem CID6536972
IUPAC Name(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular FormulaC28H44O
Molecular Weight396.6
XLogP7.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity678
SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C
InChI
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1
InChIKey
MECHNRXZTMCUDQ-VLOQVYPSSA-N
Chemical Structure
2D Structure
2D structure of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL
CAS: 51744-66-2
CID: 6536972
Formula: C28H44O
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass396.339216023
Monoisotopic Mass396.339216023
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
4631095,6-trans-Vitamin D3
HY-76542A-015,6-trans-Vitamin D2
HY-76542AR-015,6-trans-Vitamin D2 (Standard)
TRC-V676065-2.5MG5,6-trans-Vitamin D3, ~90%
HY-15398AR-015,6-trans-Vitamin D3 (Standard)
AR-C02576-01Cholecalciferol EP Impurity A (5,6-trans-Cholecalciferol,5,6-trans-Vitamin D3)
TRC-H995905-25MG1beta-Hydroxy-5,6-trans-vitamin D2
412831-011β-Hydroxy-5,6-trans-vitamin D2
OR1007285-011a-Hydroxy-5,6-trans-vitamin D3
AR-V01599-01Ergocalciferol (Vitamin D2) EP Impurity A (5,6-trans-Vitamin D2)

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