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Vitamin K1-d7

CAT: 0572-TRC-V676083-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V676083-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1233937-39-7
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c2C(=O)C(=C(C\C=C(/C)\CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2c1[2H])C([2H])([2H])[2H]
Molecular Formula
C31H39D7O2
Molecular Weight
457.74
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Vitamin K1-d7
CAS Number1233937-39-7
PubChem CID56965123
IUPAC Name5,6,7,8-tetradeuterio-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-3-(trideuteriomethyl)naphthalene-1,4-dione
Molecular FormulaC31H46O2
Molecular Weight457.7
XLogP10.9
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity696
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)[2H])[2H]
InChI
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/i6D3,7D,8D,18D,19D
InChIKey
MBWXNTAXLNYFJB-VKXGTQFMSA-N
Chemical Structure
2D Structure
2D structure of Vitamin K1-d7
CAS: 1233937-39-7
CID: 56965123
Formula: C31H46O2
MW: 457.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.7
XLogP310.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass457.393717927
Monoisotopic Mass457.393717927
Topological Polar Surface Area34.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity696
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N0684SVitamin K1-d7
RM-V307825-01Cis-Vitamin K1-D7
AR-V01535-01Vitamin K1-d7 (E-Phytonadione-d7)
AR-V01591-01Cis-Vitamin K1-d7 (Z-Phytonadione-d7)
HY-113164S-01Vitamin K1 2,3-epoxide-d7
sc-474985Vitamin K1-d7 2,3-Epoxide
AR-V06828-01Trans, cis-Vitamin K1-d7 (E, Z-Phytonadione-d7)
FV28716-01Vitamin K1

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