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23273-82-7 molecular structure
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bis((4-aminobutyl)(3-aminopropyl)amine) tris(phosphoric acid) hexahydrate

ChemBase ID: 130589
Molecular Formular: C14H59N6O18P3
Molecular Mass: 692.568943
Monoisotopic Mass: 692.30986897
SMILES and InChIs

SMILES:
C(CCNCCCN)CN.C(CCNCCCN)CN.O.O.O.O.O.O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
Canonical SMILES:
OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.NCCCNCCCCN.NCCCNCCCCN.O.O.O.O.O.O
InChI:
InChI=1S/2C7H19N3.3H3O4P.6H2O/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4;;;;;;/h2*10H,1-9H2;3*(H3,1,2,3,4);6*1H2
InChIKey:
UYNKOICVVIGVMD-UHFFFAOYSA-N

Cite this record

CBID:130589 http://www.chembase.cn/molecule-130589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis((4-aminobutyl)(3-aminopropyl)amine) tris(phosphoric acid) hexahydrate
IUPAC Traditional name
tris(phosphoric acid) bis(spermidine) hexahydrate
Synonyms
Spermidine phosphate salt hexahydrate
Dispermidine triphosphate
磷酸亚精胺
亚精胺 磷酸盐 六水合物
CAS Number
23273-82-7
MDL Number
MFCD04966492
PubChem SID
162224867
24899421
PubChem CID
71308322

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71308322 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -10.062785  LogD (pH = 7.4) -7.799325 
Log P -1.1495639  Molar Refractivity 44.9684 cm3
Polarizability 18.22489 Å3 Polar Surface Area 64.07 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥98.0% (TLC) expand Show data source
Impurities
≤0.2% spermine expand Show data source
Linear Formula
[NH2(CH2)3NH(CH2)4NH2]2 · 3H3PO4 · 6H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - S0381 external link
Biochem/physiol Actions
抑制神经元一氧化氮合成酶 (nNOS)。与 DNA 结合并使其沉淀,可用于纯化 DNA 结合蛋白。刺激 T4 多核苷酸激酶的活性。
Caution
如果需要无菌溶液,则应采用无菌过滤而非高压灭菌。时间一长,亚精胺将发生脱氨基作用;溶液应采用冷冻保存。通常需要配制新溶液。
包装
1, 5 g in glass bottle
Sigma Aldrich - 85570 external link
Biochem/physiol Actions
Inhibits neuronal nitric oxide synthase (nNOS). Binds and precipitates DNA, may be used for purification of DNA binding proteins. Stimulates T4 polynucleotide kinase activity.
Caution
Solutions should be sterile-filtered, not autoclaved, if sterile solution is necessary. Spermidine deaminates with time; solutions should be stored frozen. Prepare new solutions frequently.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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