(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol

C12H15NO6 — CID 15224674

IUPAC(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol
SMILESO=[N+]([O-])c1ccccc1COC1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C12H15NO6/c14-6-11-10(15)5-12(19-11)18-7-8-3-1-2-4-9(8)13(16)17/h1-4,10-12,14-15H,5-7H2/t10-,11+,12?/m0/s1
InChIKeyMFAPWSRHAKOBND-WIKAKEFZSA-N
MW269.25 g/mol
LogP0.58
Rot. Bonds5

About (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol

(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol (PubChem CID 15224674) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol
PubChem CID15224674
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol
SMILESO=[N+]([O-])c1ccccc1COC1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C12H15NO6/c14-6-11-10(15)5-12(19-11)18-7-8-3-1-2-4-9(8)13(16)17/h1-4,10-12,14-15H,5-7H2/t10-,11+,12?/m0/s1
InChIKeyMFAPWSRHAKOBND-WIKAKEFZSA-N
XLogP0.58
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
4-[(2-nitrophenyl)methoxy]piperidine
CID 43346289
(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol
CID 57193130
(2-nitrophenyl)methanol
CID 11923
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2-nitrophenyl)methoxymethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 135122087
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(2-nitrophenyl)oxane-2,4,5-triol
CID 100936426
(2-nitrophenyl)methyl carbamate
CID 21490181
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-nitroindol-1-yl)oxolan-3-ol
CID 14081551
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
CID 54014803
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol (CID 15224674) is (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol is O=[N+]([O-])c1ccccc1COC1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol?
The InChIKey is MFAPWSRHAKOBND-WIKAKEFZSA-N. The full InChI is InChI=1S/C12H15NO6/c14-6-11-10(15)5-12(19-11)18-7-8-3-1-2-4-9(8)13(16)17/h1-4,10-12,14-15H,5-7H2/t10-,11+,12?/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol?
(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol has a molecular weight of 269.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol is sourced from PubChem (CID 15224674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).