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

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

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

CAS No:
134186-18-8
Formula:
C16H21ClN4O7
Chemical Name:
[(3S,3aR,6S,6aS)-3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride
Synonyms:
[(3S,3aR,6S,6aS)-3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride; L-Iditol,1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-,5-nitrate,hydrochloride;

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

Molecular Weight：

416.81400

Exact Mass：

416.1098767

Characteristics

PSA：

130.18000

XLogP3：

0.48910

Boiling Point：

645.5ºC

Flash Point：

344.2ºC

Vapor Pressure：

1.49E-16mmHg at 25°C

Computed Properties

Molecular Weight:416.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:416.1098767
Monoisotopic Mass:416.1098767
Topological Polar Surface Area:126
Heavy Atom Count:28
Complexity:695
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-(6-oxo-1H-pyridine-3-carbonyl)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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