Einecs 279-051-8
Basic information
- CAS
132487-93-5- Standard SMILES
CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O- InChIKey
MBWXNTAXLNYFJB-UDCSOKOMSA-N- Molecular formula
- C31H46O2
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.34978071
Names & identifiers
- Preferred name
- Einecs 279-051-8
- IUPAC
- 2-methyl-3-[(E,7R,11S)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
- English name
- (2E,7R,11S)-Vitamin K1
- Molecular formula
- C31H46O2
- Molecular weight
- 450.7
Names & synonyms
132487-93-5EINECS 279-051-879082-97-6(R*,S*-(E))-(1)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,S*-(E)]]-(2E,7R,11S)-Vitamin K1Vitamin K1 Impurity 136HF9STJ4UDVitamin K1 Impurity 119SCHEMBL41990638MBWXNTAXLNYFJB-UDCSOKOMSA-N2-methyl-3-((7R,11S,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione
Show more names
Vitamin K13Vitamin K1 Impurity 11Phytonadione Impurity 35Vitamin K1 (7R,11S,E) IsomerTrans Phytonadione (R,S-Isomer)Vitamin K1 (7R,11S,E) Isomer Impurity1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,S*-(E)]]- (9CI)
3-Methyl-2-[(2E,7R,11S)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthalenedione3-Methyl-2-[(2E,7R,11S)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dionerel-2-Methyl-3-((7R,11S,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione
Database identifiers
- CAS
132487-93-5、79082-97-6- PubChem CID
- 7048754
- UNII
- 6HF9STJ4UD
- EC Number
- 279-051-8
- Nikkaji
- J313.789I
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 696
Chemistry & industry
Applications
Uses(2E,7R,11S)-Vitamin K1 is the R,S-transisomer impurity of Vitamin K (V676080), a compound that occurs widely in green plants, algae, photosynthetic bacteria.
Upstream & downstream products
Upstream raw materials
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Compound notes
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