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Vitamin K1 (25)

CAT: 1596-AR-V01560-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01560-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121840-65-1
Synonyms
2-Methyl-3-[ (2E,7R,11R,15R) -3,7,11,15,19-pentamethyl-2-eicosen-1-yl]-1,4-naphthalenedione
Molecular Formula
C36H56O2
Molecular Weight
520.85
API Name
Vitamin K1

Chemical Information

Vitamin K1(25)
CAS Number121840-65-1
PubChem CID71752979
IUPAC Name2-methyl-3-[(E,7R,11R,15R)-3,7,11,15,19-pentamethylicos-2-enyl]naphthalene-1,4-dione
Molecular FormulaC36H56O2
Molecular Weight520.8
XLogP13.3
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count38
Formal Charge0
Complexity785
SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChI
InChI=1S/C36H56O2/c1-26(2)14-10-15-27(3)16-11-17-28(4)18-12-19-29(5)20-13-21-30(6)24-25-32-31(7)35(37)33-22-8-9-23-34(33)36(32)38/h8-9,22-24,26-29H,10-21,25H2,1-7H3/b30-24+/t27-,28-,29-/m1/s1
InChIKey
BZMAZXMEQPQQDC-VASYFTRHSA-N
Chemical Structure
2D Structure
2D structure of Vitamin K1(25)
CAS: 121840-65-1
CID: 71752979
Formula: C36H56O2
MW: 520.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.8
XLogP313.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass520.42803102
Monoisotopic Mass520.42803102
Topological Polar Surface Area34.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity785
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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TRC-V676090-5MGVitamin K1(25)
34962825-Hydroxy Vitamin D3
01464125-Hydroxy Vitamin D2
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DC7601525-OH Vitamin D
AT20725-OH-Vitamin D3
abx18571925-OH-Vitamin D2
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