Vitamin K1-d4

CAT: 0931-TMID-0001Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TMID-0001Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

5172-18-9

Target

Endogenous Metabolite

Related Pathways

Metabolism

Bioactivity

Vitamin K1-d4 is a deuterated compound of Vitamin K1. Vitamin K1 has a CAS number of 84-80-0. Vitamin K1 (Phylloquinone) is a naturally-occurring vitamin. Vitamin K1 is essential for blood clotting, bone and vascular metabolism.

Smiles

O=C1C=2C(C(=O)C(C)=C1C/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=C(C(=C(C2[2H])[2H])[2H])[2H]

Molecular Formula

C31H42D4O2

Molecular Weight

454.7204

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Vitamin K1-d4

CAS Number	5172-18-9
PubChem CID	102383669
IUPAC Name	5,6,7,8-tetradeuterio-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Molecular Formula	C31H46O2
Molecular Weight	454.7
XLogP	10.9
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	33
Formal Charge	0
Complexity	696

SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=O)C(=C(C2=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)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+/t23-,24-/m1/s1/i7D,8D,18D,19D

InChIKey

MBWXNTAXLNYFJB-AANPTJBWSA-N

Chemical Structure

2D Structure

CAS: 5172-18-9

CID: 102383669

Formula: C31H46O2

MW: 454.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	454.7
XLogP3	10.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	454.374887690
Monoisotopic Mass	454.374887690
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	696
Isotope Atom Count	4
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T1075-01	Vitamin K1
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T75435-01	Cis-Vitamin K1
TMIH-0599-01	Vitamin K1-d7
TMID-0301-01	Vitamin-d4-d3
TMID-0300-01	Vitamin-d4-d5
T85308-01	Vitamin B3-d4
T36730	Vitamin K1 2,3-epoxide
TMIJ-0463-01	Thiamethoxam-d4 (oxadiazine-d4)

Alternative Products

Catalog	Name
HY-N0684S1	Vitamin K1-d4
FV28716-01	Vitamin K1

Vitamin K1-d4

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