[(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate

C6H10N2O5 — CID 10655277

IUPAC[(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
SMILESN[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]
InChIInChI=1S/C6H10N2O5/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6/h3-6H,1-2,7H2/t3-,4+,5-,6-/m1/s1
InChIKeyIOSFCUSLSLNFJT-JGWLITMVSA-N
MW190.16 g/mol
LogP-1.31
Rot. Bonds2

About [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate

[(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate (PubChem CID 10655277) has the molecular formula C6H10N2O5 and a molecular weight of 190.16 g/mol. Its IUPAC name is [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate.

Molecular Properties

Compound Name[(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
PubChem CID10655277
Molecular FormulaC6H10N2O5
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name[(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
SMILESN[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]
InChIInChI=1S/C6H10N2O5/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6/h3-6H,1-2,7H2/t3-,4+,5-,6-/m1/s1
InChIKeyIOSFCUSLSLNFJT-JGWLITMVSA-N
XLogP-1.31
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)
CID 3067681
L-Iditol, 2-amino-1,4:3,6-dianhydro-2-deoxy-, 5-nitrate, monohydrochloride
CID 3067626
(3S,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diamine
CID 45790910
Hexahydrofuro[3,2-b]furan-3,6-diamine
CID 24820169
(3R,3aR,6R,6aR)-hexahydrofuro[3,2-b]furan-3,6-diamine
CID 11205817
[(3S,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 3067627
[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 3067682
(3-Amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate
CID 12959196
(3S,3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
CID 27995843
(3S,3AS,6S,6aS)-Hexahydrofuro[3,2-b]furan-3,6-diamine
CID 27995845
(3S,3aR,6R,6aS)-6-methoxyhexahydrofuro[3,2-b]furan-3-amine
CID 51136231
(3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diamine
CID 55281067

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
The IUPAC name of [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate (CID 10655277) is [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate.
What is the SMILES notation for [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
The canonical SMILES for [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is N[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-].
What is the InChIKey of [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
The InChIKey is IOSFCUSLSLNFJT-JGWLITMVSA-N. The full InChI is InChI=1S/C6H10N2O5/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6/h3-6H,1-2,7H2/t3-,4+,5-,6-/m1/s1.
What are the key properties of [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
[(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate has a molecular weight of 190.16 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is sourced from PubChem (CID 10655277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).