CID 22845513
PubChem CID
22845513
Structure
Molecular Formula
Status
Non-live
Molecular Weight
417.38 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;1-hydroxypropan-2-olate
InChI=1S/C12H22O11.C3H7O2/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;1-3(5)2-4/h4-11,13-20H,1-3H2;3-4H,2H2,1H3/q;-1/t4-,5-,6-,7-,8+,9-,10+,11-,12+;/m1./s1
ZOGCGGNMERTMLH-AKSHDPDZSA-N
CC(CO)[O-].C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
C15H29O13-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
417.38 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
9
Property Name
Hydrogen Bond Acceptor Count
Property Value
13
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
417.16081598 g/mol
Property Name
Monoisotopic Mass
Property Value
417.16081598 g/mol
Property Name
Topological Polar Surface Area
Property Value
233 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
416
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
9
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS