CID 41274765
PubChem CID
41274765
Structure
Molecular Formula
Status
Non-live
Molecular Weight
440.9 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
N-[(2R,3R,4S,5R,6S)-2-[(6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-3-yl]acetamide
InChI=1S/C21H29ClN2O6/c1-12(26)24-18(3)20(5,28)19(4,27)17(2,11-25)30-21(18,6)29-16-10-23-15-9-13(22)7-8-14(15)16/h7-10,23,25,27-28H,11H2,1-6H3,(H,24,26)/t17-,18+,19-,20-,21+/m0/s1
VENKCUOINVEPKC-HGJUEJDCSA-N
CC(=O)N[C@@]1([C@]([C@@]([C@](O[C@@]1(C)OC2=CNC3=C2C=CC(=C3)Cl)(C)CO)(C)O)(C)O)C
C21H29ClN2O6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
440.9 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
5
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
440.1714143 g/mol
Property Name
Monoisotopic Mass
Property Value
440.1714143 g/mol
Property Name
Topological Polar Surface Area
Property Value
124 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
698
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
5
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS