U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N5O7P.H2O
Molecular Weight 363.2206
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [FOSDENOPTERIN]

SMILES

O.[H][C@@]12COP(O)(=O)O[C@]1([H])C(=O)[C@]3([H])NC4=C(NC(N)=NC4=O)N[C@]3([H])O2

InChI

InChIKey=LLYSJVQAJGOXIL-OPMIZUDWSA-N
InChI=1S/C10H12N5O7P.H2O/c11-10-14-7-4(8(17)15-10)12-3-5(16)6-2(21-9(3)13-7)1-20-23(18,19)22-6;/h2-3,6,9,12H,1H2,(H,18,19)(H4,11,13,14,15,17);1H2/t2-,3+,6+,9-;/m1./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12N5O7P
Molecular Weight 345.2053
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:57:07 GMT 2023
Edited
by admin
on Sat Dec 16 14:57:07 GMT 2023
Record UNII
4X7K2681Y7
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition