CID 20645929
PubChem CID
20645929
Structure
Molecular Formula
Status
Non-live
Molecular Weight
604.6 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;ethane-1,2-diamine;prop-2-enamide
InChI=1S/C12H22O11.2C3H5NO.2C2H8N2/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;2*1-2-3(4)5;2*3-1-2-4/h4-11,13-20H,1-3H2;2*2H,1H2,(H2,4,5);2*1-4H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;/m1..../s1
KYTLTIZJCFFXGT-QYGVOOBQSA-N
C=CC(=O)N.C=CC(=O)N.C(CN)N.C(CN)N.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
C22H48N6O13
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
604.6 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
14
Property Name
Hydrogen Bond Acceptor Count
Property Value
17
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
604.32793561 g/mol
Property Name
Monoisotopic Mass
Property Value
604.32793561 g/mol
Property Name
Topological Polar Surface Area
Property Value
380 A^2
Property Name
Heavy Atom Count
Property Value
41
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
459
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
0
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
5
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS