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Technical details about Menaquinone-7, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as:
Molecular Formula
C46H64O2
Molecular Weight
649.0  g/mol
InChI Key
RAKQPZMEYJZGPI-LJWNYQGCSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(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
2.1.2 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+
2.1.3 InChI Key
RAKQPZMEYJZGPI-LJWNYQGCSA-N
2.1.4 Canonical SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
2.1.5 Isomeric 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
2.2 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 649.0 g/mol
Molecular Formula C46H64O2
XLogP314.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area34.1 A^2
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
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