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

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

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

CAS No:
134213-44-8
Formula:
C17H22ClN7O5
Chemical Name:
[(3S,3aR,6S,6aS)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride
Synonyms:
L-Iditol,1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-,5-nitrate,hydrochloride; [(3S,3aR,6S,6aS)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride;

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

Molecular Weight：

439.85300

Exact Mass：

439.1370945

Characteristics

PSA：

123.59000

XLogP3：

0.85550

Boiling Point：

591.5ºC

Flash Point：

311.6ºC

Vapor Pressure：

5.75E-14mmHg at 25°C

Computed Properties

Molecular Weight:439.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:439.1370945
Monoisotopic Mass:439.1370945
Topological Polar Surface Area:124
Heavy Atom Count:30
Complexity:581
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [(3S,3aR,6S,6aS)-3-[4-(1-phenyltetrazol-5-yl)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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