[(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol

C11H20N2O6 — CID 129103477

IUPAC[(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol
SMILESN[C@@H]1COC[C@H](O[C@@H]2C[C@H]([N+](=O)[O-])C[C@H](CO)O2)C1
InChIInChI=1S/C11H20N2O6/c12-7-1-10(6-17-5-7)19-11-3-8(13(15)16)2-9(4-14)18-11/h7-11,14H,1-6,12H2/t7-,8+,9+,10+,11+/m0/s1
InChIKeyVLMJDMFRLXYHPS-VPJKUYQRSA-N
MW276.29 g/mol
LogP-0.74
Rot. Bonds4

About [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol

[(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol (PubChem CID 129103477) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol
PubChem CID129103477
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name[(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol
SMILESN[C@@H]1COC[C@H](O[C@@H]2C[C@H]([N+](=O)[O-])C[C@H](CO)O2)C1
InChIInChI=1S/C11H20N2O6/c12-7-1-10(6-17-5-7)19-11-3-8(13(15)16)2-9(4-14)18-11/h7-11,14H,1-6,12H2/t7-,8+,9+,10+,11+/m0/s1
InChIKeyVLMJDMFRLXYHPS-VPJKUYQRSA-N
XLogP-0.74
TPSA117.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol with MolForge

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Related Compounds

(2R,3S,4R,6R)-2-[(3R,5S)-5-[(2R,4R,6R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)-3-nitrooxan-4-ol
CID 129103507
N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986240
2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
CID 123738746
N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986247
N-[2-hydroxy-5-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986328
3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol
CID 143974156
(2S,5S)-6-(aminomethyl)oxane-2,4,5-triol;(2S,5S,6S)-6-(aminomethyl)oxane-2,4,5-triol;[5-(3,5-diaminocyclohexyl)oxyoxolan-2-yl]methanol
CID 143957004
2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol
CID 170910390
[4-(4-chlorophenyl)phenyl]methyl-[2-(5-hydroxyoxan-3-yl)oxy-6-methyloxan-4-yl]-methylideneazanium
CID 123851147
(2S,4S,6S)-2-[(3R,4S)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
CID 138512598
(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
CID 143974221
3-nitrocyclohexan-1-amine
CID 84648957

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol?
The IUPAC name of [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol (CID 129103477) is [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol.
What is the SMILES notation for [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol?
The canonical SMILES for [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol is N[C@@H]1COC[C@H](O[C@@H]2C[C@H]([N+](=O)[O-])C[C@H](CO)O2)C1.
What is the InChIKey of [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol?
The InChIKey is VLMJDMFRLXYHPS-VPJKUYQRSA-N. The full InChI is InChI=1S/C11H20N2O6/c12-7-1-10(6-17-5-7)19-11-3-8(13(15)16)2-9(4-14)18-11/h7-11,14H,1-6,12H2/t7-,8+,9+,10+,11+/m0/s1.
What are the key properties of [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol?
[(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol has a molecular weight of 276.29 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,6R)-6-[(3R,5S)-5-aminooxan-3-yl]oxy-4-nitrooxan-2-yl]methanol is sourced from PubChem (CID 129103477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).