chempirical

Adenine phosphate

C5H8N5O4PCAS 52175-10-7233.12 g/mol

Open in Covalent MOL file
NH2NNHNNOPHOHOOH
PhosphatePrimary amine

Properties

Molecular formula
C5H8N5O4P
Molar mass
233.12 g/mol
Exact mass
233.0314 Da
logP
-1.04Crippen estimate
Polar surface area
158.2 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
0

Identifiers

CAS number
52175-10-7
SMILES
Nc1nc[nH]c2ncnc1-2.O=P(O)(O)O
InChIKey
CCHNOBQMQBSRHQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 1H-Purin-6-amine, phosphate (1:?)
  • 1H-Purin-6-amine, phosphate

Work with Adenine phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Adenine73-24-572 % similar Adenine hydrochloride2922-28-366 % similar Adenine sulfate321-30-264 % similar 6-Bromo-9H-purine767-69-141 % similar 6-Chloropurine87-42-341 % similar Isoguanine3373-53-340 % similar 2-Chloroadenine1839-18-538 % similar 7-Deazaadenine1500-85-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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