Sperimine, monophosphate - PubChem Public Chemical Database


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Sperimine, monophosphate - Compound Summary (CID 76019)

Table of Contents

Compound Information

Substance Information

PubChem Compound Data

Properties Computed from Structure:

Molecular Weight	300.335421 [g/mol]
Molecular Formula	C₁₀H₂₉N₄O₄P
H-Bond Donor	7
H-Bond Acceptor	8
Rotatable Bond Count	11
Exact Mass	300.192642
MonoIsotopic Mass	300.192642
Topological Polar Surface Area	154
Heavy Atom Count	19
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	2

PubChem Compound Data

Descriptors Computed from Structure:

IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine; phosphoric acid
Canonical SMILES: C(CCNCCCN)CNCCCN.OP(=O)(O)O
InChI: InChI=1S/C10H26N4.H3O4P/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;1-5(2,
3)4/h13-14H,1-12H2;(H3,1,2,3,4)

InChIKey: JTUDXELSEBMWLW-UHFFFAOYSA-N

PubChem Compound Data

Compound Information:

CID 76019

Create Date: 2005-08-01

Parent CID 1103

Unique Components: 2 Links

Similar Compounds: 6 Links

PubChem Substance Data

Substance Information:

Substances: 4 Links

Category: [for same structure substances]

Biological Properties: 2 Links
DiscoveryGate ( 1 )

SID 24673773 - External ID: 76019

NIAID ( 1 )

SID 608354 - External ID: 018914

Substance Vendors: 1 Link
ChemSpider ( 1 )

SID 43131733 - External ID: 68518

Toxicology: 1 Link
ChemIDplus ( 1 )

SID 218236 - External ID: 002779911


	2D		3D

Compound ID	76019
Molecular Weight	300.335421 [g/mol]
Molecular Formula	C₁₀H₂₉N₄O₄P
H-Bond Donor	7
H-Bond Acceptor	8

Links

NLM Toxicology Link

Chemical Structure Search


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