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Menaquinone 7

CAT: 0926-FM25056-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FM25056-01Size:5 mg
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CAS Number
2124-57-4
Synonyms
(all-E) -2- (3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl) -3-methyl-1,4-naphthalenedione; Vitamin K2 (35)
MDL Number
MFCD06200757
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) /CCC=C (C) C
Molecular Formula
C46H64O2
Molecular Weight
649 g/mol
Controlled
No

Chemical Information

Menaquinone 7

Menaquinone-7 is a menaquinone whose side-chain contains seven isoprene units in an all-trans-configutation. It has a role as a Mycoplasma genitalium metabolite, a cofactor, a bone density conservation agent, an Escherichia coli metabolite and a human blood serum metabolite.

CAS Number2124-57-4
PubChem CID5287554
IUPAC Name2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-methylnaphthalene-1,4-dione
Molecular FormulaC46H64O2
Molecular Weight649.0
XLogP14.5
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Heavy Atom Count48
Formal Charge0
Complexity1310
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)/CCC=C(C)C
InChI
InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
InChIKey
RAKQPZMEYJZGPI-LJWNYQGCSA-N
Chemical Structure
2D Structure
2D structure of Menaquinone 7
CAS: 2124-57-4
CID: 5287554
Formula: C46H64O2
MW: 649.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight649.0
XLogP314.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Exact Mass648.49063128
Monoisotopic Mass648.49063128
Topological Polar Surface Area34.1 Ų
Heavy Atom Count48
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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