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Acetylspermine

Acetylspermine structure

CAS No:
25593-72-0
Formula:
C12H28N4O
Chemical Name:
Acetylspermine
Synonyms:
Acetamide,N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-;N-[3-[[4-[(3-Aminopropyl)amino]butyl]amino]propyl]acetamide;N1-Acetylspermine;N1-Monoacetylspermine;N1-Acetylspermine;Acetylspermine;Monoacetylspermine;N-Acetylspermine

Description

Solid

N(1)-acetylspermine is an acetylspermine carrying an acetyl group at position N(1). It has a role as a human metabolite. It is a member of acetamides and an acetylspermine. It is a conjugate base of a N(1)-acetylsperminium(3+).

Acetylspermine Basic Attributes

Molecular Weight：

244.38 g/mol

Exact Mass：

244.38

DSSTox ID：

DTXSID40180274

Characteristics

PSA：

79.2 Å²

Collision Cross Section：

158 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|162 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Drug Information

MeSH Entry Terms：

N'-acetylspermine

Computed Properties

Molecular Weight:244.38
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:244.22631153
Monoisotopic Mass:244.22631153
Topological Polar Surface Area:79.2
Heavy Atom Count:17
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: k3po4; olmesartan 40 mg; 2-butanol; isopropyl ether; acetone formula; formaldehyde

Guide of Acetylspermine

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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