Basic information
- Name:
Flaxseeds extract
- CAS No.:
148244-82-0
- Molecular Structure:
- Formula:
- C20H26O6.C6H12O6
- Molecular Weight:
- 542.58
- Synonyms:
- Secoisolariciresinol diglucoside;2,3-Bis(3-methoxy-4-hydroxybenzyl)butane-1,4-diol 1,4-diglucoside;beta-D-Glucopyranose, diglycoside with 2,3-bis((4-hydroxy-3-methoxyphenyl)methyl-1,4-butanediol, (R-(R*,R*))-;Bmhb-diglc;Seco-isolariciresinol diglucoside;
- Boiling Point:
- 609.1 °C at 760 mmHg
- Flash Point:
- 322.1 °C
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Chemistry
Molecule structure of Seco-isolariciresinol diglucoside (CAS NO.148244-82-0):
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IUPAC Name: (2R,3R)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Molecular Weight: 542.57272 g/mol
Molecular Formula: C26H38O12
Flash Point: 322.1 °C
Enthalpy of Vaporization: 95.13 kJ/mol
Boiling Point: 609.1 °C at 760 mmHg
Vapour Pressure: 1.09E-15 mmHg at 25 °C
H-Bond Donor: 9
H-Bond Acceptor: 12
Rotatable Bond Count: 10
Tautomer Count: 5
Exact Mass: 542.236327
MonoIsotopic Mass: 542.236327
Topological Polar Surface Area: 210
Heavy Atom Count: 38
Canonical SMILES: COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O.C(C1C(C(C(C(O1)O)O)O)O)O
Isomeric SMILES: COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)CO)O.C([C@@H]1C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
InChI: InChI=1S/C20H26O6.C6H12O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2;7-1-2-3(8)4(9)5(10)6(11)12-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3;2-11H,1H2/t15-,16-;2-,3-,4+,5-,6-/m01/s1
InChIKey of Seco-isolariciresinol diglucoside (CAS NO.148244-82-0): MJYQFWSXKFLTAY-OVEQLNGDSA-N
Specification
Seco-isolariciresinol diglucoside (CAS NO.148244-82-0) is also named as 2,3-Bis(3-methoxy-4-hydroxybenzyl)butane-1,4-diol 1,4-diglucoside ; Bmhb-diglc ; beta-D-Glucopyranose, diglycoside with 2,3-bis((4-hydroxy-3-methoxyphenyl)methyl-1,4-butanediol, (R-(R*,R*))- .