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Vitamin K2(35) (2124-57-4)

Identification
Name:Vitamin K2(35)
Synonyms:1,4-Naphthalenedione,2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-,(all-E)-;1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3-methyl-(9CI);1,4-Naphthoquinone,2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-,(all-E)- (8CI);MK7;Menaquinone 7;Menaquinone K7;Vitamin MK7;1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-3-methyl-;
CAS:2124-57-4
Molecular Formula: C46H64O2
Molecular Weight: 649
InChI: InChI=1/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+
Molecular Structure: (C46H64O2) 1,4-Naphthalenedione,2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methy...
Properties
Flash Point: 254.9°C
Boiling Point: 720.1°Cat760mmHg
Density:0.961g/cm3
Refractive index:1.532
Solubility:INSOL IN WATER; SOL IN FAT SOLVENTS
SOL IN OILS
SOL IN FATS
Specification:

The CAS register number of Vitamin K2(35) is 2124-57-4. It also can be called as 1,4-Naphthalenedione, 2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosahept-aenyl)-3-methyl-, (all-E)-  and the Systematic name about this chemical is 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.

Physical properties about Vitamin K2(35) are: (1)ACD/LogP: 17.05; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 17.04; (4)ACD/LogD (pH 7.4): 17.04; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 34.14Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 209.11 cm3; (15)Molar Volume: 674.7 cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 0.961 g/cm3; (18)Flash Point: 254.9 °C; (19)Enthalpy of Vaporization: 105.21 kJ/mol; (20)Boiling Point: 720.1 °C at 760 mmHg; (21)Vapour Pressure: 1.38E-20 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C\2c1c(cccc1)C(=O)/C(=C/2C)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)C
2.InChI: InChI=1/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+ 
3.InChIKey: RAKQPZMEYJZGPI-LJWNYQGCBT
4.Std. 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+

Flash Point: 254.9°C
Color: LIGHT YELLOW MICROCRYSTALLINE PLATES FROM PETROLEUM ETHER
LIGHT-YELLOW SOLIDS OR OILS
Usage:Vitamin (prothrombogenic)
Safety Data
 

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