General
Preferred name
N1-Methylguanosine
Synonyms
P&D ID
PD102008
CAS
2140-65-0
Tags
available
Structure
N1-Methylguanosine
RO5
MW
297.11
HBA
10
HBD
4
RB
2
LOGP
-2.68
80
1
0
0
Structure formats
SMILES
Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O
InChI
InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1
InChIkey
UTAIYTHAJQNQDW-KQYNXXCUSA-N
MOL
N1-Methylguanosine RDKit 2D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 3.6844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9499 4.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 1.7537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -3.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6724 -3.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1359 -5.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 -5.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 -2.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0541 -2.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6724 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1359 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 3.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 11 10 1 6 11 12 1 0 12 13 1 0 13 14 1 6 14 15 1 0 13 16 1 0 16 17 1 1 16 18 1 0 18 19 1 1 7 20 1 0 20 21 2 0 20 2 1 0 10 6 1 0 18 11 1 0 M END > <ID> PD102008 > <Name> N1-Methylguanosine
Protein targets
0
Target pathways
0
References
1
2020 A benzoxazole derivative as an inhibitor of anaerobic choline metabolism by human gut microbiota
Gabr, Moustafa T. et al. RSC Med Chem
Compound Sets
1
Cayman Chemical Bioactives
Properties
(calculated by RDKit )
Molecular Weight
297.11
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
-2.68
TPSA
148.65
Fraction CSP3
0.55
Chiral centers
4.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data