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Substance Name: Adenosine diphosphate
RN: 58-64-0
UNII: 61D2G4IYVH
InChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-N

Note

  • Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.

Molecular Formula

  • C10-H15-N5-O10-P2

Molecular Weight

  • 427.2015
 

Classification Code

  • Mutation Data
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Names and Synonyms

Name of Substance

  • Adenosine diphosphate

MeSH Heading

  • Adenosine diphosphate

Synonyms

  • 4-26-00-03629 (Beilstein Handbook Reference)
  • 5'-Adenylphosphoric acid
  • 5'-Adp
  • Adenosindiphosphorsaeure
  • Adenosine 5'-diphosphate
  • Adenosine 5'-diphosphoric acid
  • Adenosine 5'-pyrophosphate
  • Adenosine 5'-pyrophosphoric acid
  • Adenosine diphosphate
  • Adenosine diphosphoric acid
  • Adenosine pyrophosphate
  • Adenosine-5'-diphosphat
  • Adenosine-5'-diphosphate
  • Ado-5'-P-P
  • ADP
  • ADP (nucleotide)
  • BRN 0067722
  • EINECS 200-392-5
  • UNII-61D2G4IYVH

Systematic Names

  • Adenosine 5'-(trihydrogen diphosphate)
  • Adenosine, 5'-(trihydrogen pyrophosphate)

Registry Numbers

CAS Registry Number

  • 58-64-0

FDA UNII

  • 61D2G4IYVH

Other Registry Numbers

  • 84412-16-8
  • 896506-82-4
  • 905904-58-7

System Generated Number

  • 0000058640

Structure Descriptors

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

Smiles

Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3333mg/kg (3333mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 160, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.640 (none)   EST
Atmospheric OH Rate Constant 2.58E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.