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Vitamin D3-d7 (Major)

CAT: 1596-AR-V01526-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01526-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1627523-19-6
Synonyms
(S, Z) -3- (2- ((1R,3aS,7aR, E) -7a-methyl-1- ((R) -6- (methyl-d3) heptan-2-yl-6,7,7,7-d4) octahydro-4H-inden-4-ylidene) ethylidene) -4-methylenecyclohexan-1-ol; Cholecalciferol-d7
Molecular Formula
C27H37OD7
Molecular Weight
391.74
API Name
Vitamin D3

Chemical Information

Vitamin D3-d7
CAS Number1627523-19-6
PubChem CID46783254
IUPAC Name(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular FormulaC27H44O
Molecular Weight391.7
XLogP7.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity610
SMILES
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C([2H])([2H])[2H]
InChI
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i1D3,2D3,19D
InChIKey
QYSXJUFSXHHAJI-UIEYODRWSA-N
Chemical Structure
2D Structure
2D structure of Vitamin D3-d7
CAS: 1627523-19-6
CID: 46783254
Formula: C27H44O
MW: 391.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.7
XLogP37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass391.383153244
Monoisotopic Mass391.383153244
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity610
Isotope Atom Count7
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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