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20831-76-9

20831-76-9 | 1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(β-D-glucopyranosyloxy)-5,6-dihydro-, (5R,6S)-

CAS No: 20831-76-9 Catalog No: AG002JNF MDL No:MFCD00075700

Product Description

Catalog Number:
AG002JNF
Chemical Name:
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(β-D-glucopyranosyloxy)-5,6-dihydro-, (5R,6S)-
CAS Number:
20831-76-9
Molecular Formula:
C16H20O9
Molecular Weight:
356.3246
MDL Number:
MFCD00075700
IUPAC Name:
(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
InChI:
InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
InChI Key:
DUAGQYUORDTXOR-GPQRQXLASA-N
SMILES:
C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
EC Number:
244-070-2
UNII:
0WE09Z21RC

Properties

Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
356.111g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
356.327g/mol
Monoisotopic Mass:
356.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  

Literature

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