Introduction:Basic information about CAS 58-64-0|Adenosine diphosphate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Adenosine 5'-diphosphate is a nucleoside diphosphate. Adenosine 5'-diphosphate is the product of ATP dephosphorylation by ATPases.
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Target
Human Endogenous Metabolite
In Vitro
Adenosine 5'-diphosphate consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase adenine. Adenosine 5'-diphosphate is the product of ATP dephosphorylation by ATPases. ADP is converted back to ATP by ATP synthases. ATP is an important energy transfer molecule in cells. Adenosine 5'-diphosphate is utilized in a wide number of cellular processes, including respiration, biosynthetic reactions, motility, and cell division.
Chemical & Physical Properties
Density
2.5±0.1 g/cm3
Boiling Point
877.7±75.0 °C at 760 mmHg
Molecular Formula
C10H15N5O10P2
Molecular Weight
427.201
Flash Point
484.6±37.1 °C
Exact Mass
427.029419
PSA
252.22000
LogP
-2.91
Vapour Pressure
0.0±0.3 mmHg at 25°C
Index of Refraction
1.905
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
AU7467000
CHEMICAL NAME :
Adenosine, 5'-(trihydrogen pyrophosphate)
CAS REGISTRY NUMBER :
58-64-0
BEILSTEIN REFERENCE NO. :
0067722
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H15-N5-O10-P2
MOLECULAR WEIGHT :
427.24
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3333 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
MUTATION DATA
TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Human Cells - not otherwise specified
DOSE/DURATION :
100 umol/L
REFERENCE :
JIDEAE Journal of Investigative Dermatology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1938- Volume(issue)/page/year: 65,52,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3804 No. of Facilities: 622 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 8666 (estimated) No. of Female Employees: 6878 (estimated)
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