Home > Compound List > Compound details
207121-55-9 molecular structure
click picture or here to close

2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one hydrate

ChemBase ID: 70207
Molecular Formular: C10H15N5O5
Molecular Mass: 285.2566
Monoisotopic Mass: 285.10731861
SMILES and InChIs

SMILES:
OC[C@@H]1[C@@H](O)C[C@@H](O1)n1cnc2c(=O)[nH]c(N)nc12.O
Canonical SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O.O
InChI:
InChI=1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1
InChIKey:
LZSCQUCOIRGCEJ-FPKZOZHISA-N

Cite this record

CBID:70207 http://www.chembase.cn/molecule-70207.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one hydrate
IUPAC Traditional name
2-deoxyguanosine hydrate
2'-deoxyguanosine hydrate
Synonyms
2′-Deoxyguanosine hydrate
9-(2-Deoxy-β-D-ribofuranosyl)guanine
Guanine-2′-deoxyriboside
2′-Deoxyguanosine monohydrate
2'-Deoxyguanosine monohydrate
2′-脱氧鸟苷 水合物
2′-Deoxyguanosine 一水合物
CAS Number
207121-55-9
312693-72-4
EC Number
213-505-8
MDL Number
MFCD00150760
Beilstein Number
39814
PubChem SID
24894083
24888365
162035930
24893307
PubChem CID
16218597

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.158529  H Acceptors
H Donor LogD (pH = 5.5) -1.8056743 
LogD (pH = 7.4) -1.8062477  Log P -1.8055801 
Molar Refractivity 63.1104 cm3 Polarizability 23.620188 Å3
Polar Surface Area 134.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1 M NH4OH: soluble50 mg/mL expand Show data source
1 M NH4OH: soluble50 mg/mL, clear to very faintly turbid, yellow to brown expand Show data source
Apperance
powder expand Show data source
Melting Point
>300 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]20/D -30°, c = 0.2 in H2O expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
95+% expand Show data source
99% expand Show data source
99-100% expand Show data source
Suitability
suitable for cell culture expand Show data source
Empirical Formula (Hill Notation)
C10H13N5O4 · H2O expand Show data source
C10H13N5O4 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D7145 external link
Application
Deoxyguanosine (dG) is a purine nucleoside that upon sequential phosphoylation (kinases) forms dGTP which is used by DNA polymerases and reverse transcriptases to synthesis DNA(s). Deoxyguanosine is the most electron rich of the four canonical bases and includes many nucleophilic sites which are susceptible to oxidative damage. This makes deoxyguanosine and its oxidized derivatives useful reagents to study mechanisms of oxidative damage to nucleosides and nucleotides.
Sigma Aldrich - 854999 external link
Packaging
1 g in glass bottle
100 mg in glass bottle

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