CID 146016514
PubChem CID
146016514
Structure
Molecular Formula
Status
Non-live
Molecular Weight
1605.5 g/mol
Dates
- Create:2020-04-06
Chemical Structure Depiction
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI=1S/4C8H15NO6.4C6H12O6/c4*1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14;4*7-1-2-3(8)4(9)5(10)6(11)12-2/h4*4-8,10,12-14H,2H2,1H3,(H,9,11);4*2-11H,1H2
FFEYZQBRKALONU-UHFFFAOYSA-N
CC(=O)NC1C(C(C(OC1O)CO)O)O.CC(=O)NC1C(C(C(OC1O)CO)O)O.CC(=O)NC1C(C(C(OC1O)CO)O)O.CC(=O)NC1C(C(C(OC1O)CO)O)O.C(C1C(C(C(C(O1)O)O)O)O)O.C(C1C(C(C(C(O1)O)O)O)O)O.C(C1C(C(C(C(O1)O)O)O)O)O.C(C1C(C(C(C(O1)O)O)O)O)O
C56H108N4O48
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
1605.5 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
40
Property Name
Hydrogen Bond Acceptor Count
Property Value
48
Property Name
Rotatable Bond Count
Property Value
12
Property Name
Exact Mass
Property Value
1604.6133012 g/mol
Property Name
Monoisotopic Mass
Property Value
1604.6133012 g/mol
Property Name
Topological Polar Surface Area
Property Value
919 A^2
Property Name
Heavy Atom Count
Property Value
108
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
386
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
40
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
8
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS