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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16N5O8P
Molecular Weight 377.2472
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Methyl-5′-guanylic acid inner salt

SMILES

C[N+]1=CN([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)C3=C1C(=O)N=C(N)N3

InChI

InChIKey=AOKQNZVJJXPUQA-KQYNXXCUSA-N
InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H16N5O8P
Molecular Weight 377.2472
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 19:35:57 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:57 GMT 2023
Record UNII
EKR5MM3F8S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-Methyl-5′-guanylic acid inner salt
Common Name English
5′-Guanylic acid, 7-methyl-, inner salt
Common Name English
Purinium, 2-amino-1,6-dihydro-7-methyl-6-oxo-9-β-D-ribofuranosyl-, hydroxide, 5′-(dihydrogen phosphate), inner salt
Common Name English
1H-Purinium, 2-amino-6,9-dihydro-7-methyl-6-oxo-9-(5-O-phosphono-β-D-ribofuranosyl)-, inner salt
Common Name English
2-Amino-1,6-dihydro-7-methyl-6-oxo-9-β-D-ribofuranosylpurinium hydroxide, 5′-phosphate, inner salt
Common Name English
Code System Code Type Description
FDA UNII
EKR5MM3F8S
Created by admin on Sat Dec 16 19:35:57 GMT 2023 , Edited by admin on Sat Dec 16 19:35:57 GMT 2023
PRIMARY
CAS
10162-58-0
Created by admin on Sat Dec 16 19:35:57 GMT 2023 , Edited by admin on Sat Dec 16 19:35:57 GMT 2023
PRIMARY
PUBCHEM
11810931
Created by admin on Sat Dec 16 19:35:57 GMT 2023 , Edited by admin on Sat Dec 16 19:35:57 GMT 2023
PRIMARY