Spermidine phosphate

C₇H₂₂N₃O₄PCAS 49721-50-8243.24 g/mol

Open in Covalent MOL file

Phosphate Primary amine Secondary amine

Properties

Molecular formula: C₇H₂₂N₃O₄P
Molar mass: 243.24 g/mol
Exact mass: 243.1348 Da
logP: -1.26Crippen estimate
Polar surface area: 141.8 Å²
H-bond donors / acceptors: 6 / 4
Rotatable bonds: 7

Identifiers

CAS number

49721-50-8

SMILES

NCCCCNCCCN.O=P(O)(O)O

InChIKey

LEYFIQPTQUZRIJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H19N3.H3O4P/c8-4-1-2-6-10-7-3-5-9;1-5(2,3)4/h10H,1-9H2;(H3,1,2,3,4)

Weigh it out

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

Names and synonyms

1 names

1,4-Butanediamine, N-(3-aminopropyl)-, phosphate (2:3)

Work with Spermidine 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

Spermidine124-20-963 % similar Spermine71-44-358 % similar Amifostine20537-88-658 % similar 2-(3-Aminopropylamino)ethylsulfanylphosphonic acid trihydrate112901-68-557 % similar Bis(hexamethylene)triamine143-23-756 % similar Piperazine phosphate14538-56-856 % similar Piperazine, phosphate (1:?)1951-97-956 % similar Piperazine, phosphate, hydrate (1:1:1)18534-18-456 % similar

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

Elsewhere

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