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Menaquinone 9

CAT: 1596-AR-V01618-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01618-04Size:100 Units
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CAS Number
523-39-7
Synonyms
2-methyl-3-[ (2E,6E,10E,14E,18E,22E,26E,30E) -3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-naphthalenedione; MK-9; Vitamin K2 (45)
Molecular Formula
C56H80O2
Molecular Weight
785.25
API Name
Vitamin K2

Chemical Information

Menaquinone 9

Menaquinone-9 is a menaquinone whose side-chain contains 9 isoprene units in an all-trans-configuration. It has a role as an Escherichia coli metabolite.

CAS Number523-39-7
PubChem CID6289935
IUPAC Name2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-dione
Molecular FormulaC56H80O2
Molecular Weight785.2
XLogP18.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count26
Heavy Atom Count58
Formal Charge0
Complexity1630
SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+
InChIKey
WCRXHNIUHQUASO-UVZVDVBNSA-N
Chemical Structure
2D Structure
2D structure of Menaquinone 9
CAS: 523-39-7
CID: 6289935
Formula: C56H80O2
MW: 785.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight785.2
XLogP318.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count26
Exact Mass784.61583179
Monoisotopic Mass784.61583179
Topological Polar Surface Area34.1 Ų
Heavy Atom Count58
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count8
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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