Home Other Building Blocks Neohesperidin

Neohesperidin

CAS No.:
13241-33-3
Catalog Number:
AG0010O9
Molecular Formula:
C28H34O15
Molecular Weight:
610.5606
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$32
- +
100g
97%
In Stock USA
United States
$75
- +
500g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0010O9
Chemical Name:
Neohesperidin
CAS Number:
13241-33-3
Molecular Formula:
C28H34O15
Molecular Weight:
610.5606
MDL Number:
MFCD16661259
IUPAC Name:
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI Key:
ARGKVCXINMKCAZ-UZRWAPQLSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
EC Number:
236-216-9
UNII:
OA5C88H3L0
Properties
Complexity:
940  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Defined Bond Stereocenter Count:
0
Exact Mass:
610.19g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
610.565g/mol
Monoisotopic Mass:
610.19g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
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Properties