 Home > Encyclopedia > [3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride

[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride

[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride structure

CAS No:
134308-71-7
Formula:
C19H28ClN3O5S
Chemical Name:
[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride
Synonyms:
2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl; [3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride; D-Glucitol,1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-,5-nitrate,dihydrochloride;

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[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride Basic Attributes

Molecular Weight：

445.96100

Exact Mass：

445.1438199

Characteristics

PSA：

105.29000

XLogP3：

2.73050

Boiling Point：

556.3ºC

Flash Point：

290.2ºC

Vapor Pressure：

2.06E-12mmHg at 25°C

Computed Properties

Molecular Weight:446.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:445.1438199
Monoisotopic Mass:445.1438199
Topological Polar Surface Area:105
Heavy Atom Count:29
Complexity:508
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride

Basic Attributes
Characteristics
Computed Properties
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