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5550-12-9 molecular structure
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disodium hydrate [(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

ChemBase ID: 133699
Molecular Formular: C10H14N5Na2O9P
Molecular Mass: 425.199561
Monoisotopic Mass: 425.03245225
SMILES and InChIs

SMILES:
c1nc2c(=O)[nH]c(nc2n1[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])[O-])O)O)N.O.[Na+].[Na+]
Canonical SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)([O-])[O-].O.[Na+].[Na+]
InChI:
InChI=1S/C10H14N5O8P.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t3-,5-,6-,9-;;;/m1.../s1
InChIKey:
MEKWJTZTMVQYSU-CYCLDIHTSA-L

Cite this record

CBID:133699 http://www.chembase.cn/molecule-133699.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium hydrate [(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
IUPAC Traditional name
disodium hydrate guanosine 5' monophosphate
Synonyms
5′-Guanylic acid disodium salt hydrate
5′-GMP-Na2
Guanosine 5′-monophosphate disodium salt hydrate
5′-鸟苷酸 二钠盐 水合物
鸟苷-5′-单磷酸 二钠盐 水合物
CAS Number
5550-12-9
EC Number
226-914-1
MDL Number
MFCD00151238
Beilstein Number
3586801
PubChem SID
24895338
162227976
PubChem CID
16219450

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219450 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.0546672  H Acceptors 10 
H Donor LogD (pH = 5.5) -5.2467523 
LogD (pH = 7.4) -6.360609  Log P -2.9361746 
Molar Refractivity 73.2506 cm3 Polarizability 28.688873 Å3
Polar Surface Area 207.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
MF9290000 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 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
≥99% expand Show data source
Biological Source
from yeast expand Show data source
Empirical Formula (Hill Notation)
C10H12N5Na2O8P · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G8377 external link
Biochem/physiol Actions
Guanosine 5′-monophosphate (GMP) is a ribonucleoside monophospate which upon phosphorylation to GTP becomes incorporated into ribonucleic acids (RNAs) by various RNA polymerase(s). Guanosine-5′-monophosphate (GMP) can be used to study modulation of glutamatergic neurotransmission.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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