Home Carboxys 2-Anthracenecarboxylic acid, 7-β-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-

2-Anthracenecarboxylic acid, 7-β-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-

CAS No.:
1260-17-9
Catalog Number:
AG000QPN
Molecular Formula:
C22H20O13
Molecular Weight:
492.3864
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 95% (Dye content)
1 week
United States
$75
- +
5g
≥ 95% (Dye content)
1 week
United States
$199
- +
25g
≥ 95% (Dye content)
1 week
United States
$491
- +
Product Description
Catalog Number:
AG000QPN
Chemical Name:
2-Anthracenecarboxylic acid, 7-β-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-
CAS Number:
1260-17-9
Molecular Formula:
C22H20O13
Molecular Weight:
492.3864
MDL Number:
MFCD00167028
IUPAC Name:
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
InChI:
InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1
InChI Key:
DGQLVPJVXFOQEV-JNVSTXMASA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O
UNII:
CID8Z8N95N
FEMA Number:
2242
Properties
Complexity:
864  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
492.09g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
492.389g/mol
Monoisotopic Mass:
492.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
243A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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Properties