Home > Compound List > Compound details
61-19-8 molecular structure
click picture or here to close

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

ChemBase ID: 17
Molecular Formular: C10H14N5O7P
Molecular Mass: 347.221221
Monoisotopic Mass: 347.06308444
SMILES and InChIs

SMILES:
P(=O)(OC[C@H]1O[C@@H](n2c3ncnc(N)c3nc2)[C@H](O)[C@@H]1O)(O)O
Canonical SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O
InChI:
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey:
UDMBCSSLTHHNCD-KQYNXXCUSA-N

Cite this record

CBID:17 http://www.chembase.cn/molecule-17.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
IUPAC Traditional name
adenosine monophosphate
adenylate
Brand Name
Adenovite
Cardiomone
Lycedan
My-B-Den
Phosaden
Phosphaden
Synonyms
5'-Adenosine monophosphate
5'-AMP
5'-Adenylic acid
Adenosine-5-monophosphoric acid
Adenosine-5'-monophosphoric acid
Adenosine-5'-Monophosphate
Adenosine phosphate
Adenosine 5'-phosphoric acid
Adenosine 5'-phosphate
Adenosine 5'-monophosphate
Adenosine 5'-(dihydrogen phosphate)
Adenylate
Adenylic acid
AMP
Phosphentaside
Adenosine monophosphate
A-5'-P
ADENOSINE-5'-MONOPHOSPHATE MONOHYDRATE
CAS Number
61-19-8
18422-05-4
PubChem SID
46507628
160963480
PubChem CID
6083
CHEBI ID
16027
CHEMBL
752
Chemspider ID
5858
DrugBank ID
DB00131
IUPHAR ligand ID
2455
KEGG ID
C00020
MeSH Name
Adenosine+monophosphate
Unique Ingredient Identifier
415SHH325A
Wikipedia Title
Adenosine_monophosphate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02100080 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 1.2265724  H Acceptors 10 
H Donor LogD (pH = 5.5) -4.75149 
LogD (pH = 7.4) -5.746467  Log P -5.1915946 
Molar Refractivity 74.0685 cm3 Polarizability 29.089455 Å3
Polar Surface Area 186.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -3.13  LOG S -2.02 
Solubility (Water) 3.31e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble expand Show data source
Apperance
white crystalline powder expand Show data source
Melting Point
178 - 185°C expand Show data source
200°C expand Show data source
Boiling Point
798.5°C expand Show data source
Density
2.32 g/mL expand Show data source
Hydrophobicity(logP)
-3.1 expand Show data source
pKa
0.9, 3.8, 6.1 expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Purity
99-100% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

DrugBank DrugBank MP Biomedicals MP Biomedicals Wikipedia Wikipedia
DrugBank - DB00131 external link
Item Information
Drug Groups approved; nutraceutical
Description Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. [PubChem]
Indication For nutritional supplementation, also for treating dietary shortage or imbalance
Pharmacology Adenosine monophosphate, also known as 5'-adenylic acid and abbreviated AMP, is a nucleotide that is found in RNA. It is an ester of phosphoric acid with the nucleoside adenosine. AMP consists of the phosphate group, the pentose sugar ribose, and the nucleobase adenine. AMP is used as a dietary supplement to boost immune activity, and is also used as a substitute sweetener to aid in the maintenance of a low-calorie diet.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
MP Biomedicals - 02100080 external link
From Yeast
Free Acid
Crystalline
Purity: 99-100%

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