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85-32-5 molecular structure
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{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

ChemBase ID: 108990
Molecular Formular: C10H14N5O8P
Molecular Mass: 363.220621
Monoisotopic Mass: 363.05799906
SMILES and InChIs

SMILES:
Nc1nc(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
Canonical SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O
InChI:
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey:
RQFCJASXJCIDSX-UUOKFMHZSA-N

Cite this record

CBID:108990 http://www.chembase.cn/molecule-108990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
IUPAC Traditional name
guanosine monophosphate
Synonyms
GUANOSINE-5'-MONOPHOSPHATE NA
5'-Guanidylic acid
5'-Guanylic acid
E number E626
Guanosine monophosphate
CAS Number
85-32-5
PubChem SID
162094481
PubChem CID
6804
CHEMBL
604603
MeSH Name
Guanosine+monophosphate
Wikipedia Title
Guanosine_monophosphate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05209447 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.2071996  H Acceptors 11 
H Donor LogD (pH = 5.5) -4.75513 
LogD (pH = 7.4) -5.938243  Log P -3.664426 
Molar Refractivity 75.0606 cm3 Polarizability 29.105438 Å3
Polar Surface Area 201.75 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
pKa
0.7, 2.4, 6.1, 9.4 expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 05209447 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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