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Menaquinone 8

CAT: 0926-FM25057Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
523-38-6
Synonyms
2-Methyl-3-[ (2E,6E,10E,14E,18E,22E,26E) -3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-1,4-naphthale nedione
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) /CCC=C (C) C
Molecular Formula
C51H72O2
Molecular Weight
717.12 g/mol
Controlled
No

Chemical Information

Menaquinone 8

Menaquinone-8 is a menaquinone whose side-chain contains 8 isoprene units in an all-trans-configuration. It has a role as an Escherichia coli metabolite and a human metabolite.

CAS Number523-38-6
PubChem CID5376507
IUPAC Name2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
Molecular FormulaC51H72O2
Molecular Weight717.1
XLogP16.4
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count23
Heavy Atom Count53
Formal Charge0
Complexity1470
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)/CCC=C(C)C
InChI
InChI=1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,44-32+,45-36+
InChIKey
LXKDFTDVRVLXFY-WQWYCSGDSA-N
Chemical Structure
2D Structure
2D structure of Menaquinone 8
CAS: 523-38-6
CID: 5376507
Formula: C51H72O2
MW: 717.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight717.1
XLogP316.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count23
Exact Mass716.55323154
Monoisotopic Mass716.55323154
Topological Polar Surface Area34.1 Ų
Heavy Atom Count53
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count7
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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