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154461-65-1 | Sinapaldehyde glucoside
CAS No: 154461-65-1 Catalog No: AG00AKYG MDL No:MFCD20260687
Product Description
Catalog Number:
AG00AKYG
Chemical Name:
Sinapaldehyde glucoside
CAS Number:
154461-65-1
MDL Number:
MFCD20260687
IUPAC Name:
(E)-3-[3,5-dimethoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enal
InChI:
InChI=1S/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17?/m1/s1
InChI Key:
OYTCTPHTVUEGCL-RBKUQZRRSA-N
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
370.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
370.354g/mol
Monoisotopic Mass:
370.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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