CID 23721955
PubChem CID
23721955
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
385.20 g/mol
Dates
- Create:2008-02-05
Chemical Structure Depiction
sodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
InChI=1S/C10H14N5O8P.Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);/q;+1/p-1/t3-,5-,6-,9-;/m1./s1
MJXCRZUMPHSNGI-GWTDSMLYSA-M
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)[O-])O)NC(=NC2=O)N.[Na+]
C10H13N5NaO8P
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
385.20 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
5
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
385.03994367 g/mol
Property Name
Monoisotopic Mass
Property Value
385.03994367 g/mol
Property Name
Topological Polar Surface Area
Property Value
205 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
610
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
4
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS