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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14N3O9P
Molecular Weight 339.1959
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBOXYAMINOIMIDAZOLE RIBOTIDE

SMILES

NC1=C(N=CN1[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=XFVULMDJZXYMSG-ZIYNGMLESA-N
InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H14N3O9P
Molecular Weight 339.1959
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
5MA501Z5DO
Record Status Validated (UNII)
Record Version