Home > Compound List > Compound details
20244-86-4 molecular structure
click picture or here to close

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-9H-purin-7-ium-6-olate

ChemBase ID: 133755
Molecular Formular: C11H15N5O5
Molecular Mass: 297.2673
Monoisotopic Mass: 297.10731861
SMILES and InChIs

SMILES:
C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O
Canonical SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c[n+](c2c1nc(N)nc2[O-])C
InChI:
InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/t4-,6-,7-,10-/m1/s1
InChIKey:
OGHAROSJZRTIOK-KQYNXXCUSA-N

Cite this record

CBID:133755 http://www.chembase.cn/molecule-133755.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-9H-purin-7-ium-6-olate
IUPAC Traditional name
7-methylguanosine
Synonyms
7-Methylguanosine
CAS Number
20244-86-4
MDL Number
MFCD16661197
Beilstein Number
3713683
PubChem SID
162228032
24896562
PubChem CID
6474236

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6474236 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.770023  H Acceptors
H Donor LogD (pH = 5.5) -5.620555 
LogD (pH = 7.4) -5.6223283  Log P -5.6205206 
Molar Refractivity 80.8655 cm3 Polarizability 26.956036 Å3
Polar Surface Area 153.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥90% expand Show data source
≥99.0% (HPLC) expand Show data source
Impurities
≤13% water expand Show data source
Empirical Formula (Hill Notation)
C11H15N5O5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M0627 external link
Application
7-Methylguanosine may be used to characterize and study the metabolism of naturally occurring methylated guanosines in RNAs.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. M0627.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle