(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol

C12H15NO6 — CID 57193130

IUPAC(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol
SMILESO=[N+]([O-])c1ccccc1C[C@@]1(O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C12H15NO6/c14-7-11-10(15)6-12(16,19-11)5-8-3-1-2-4-9(8)13(17)18/h1-4,10-11,14-16H,5-7H2/t10-,11+,12-/m0/s1
InChIKeyMOOXFUYKVRISGE-TUAOUCFPSA-N
MW269.25 g/mol
LogP-0.03
Rot. Bonds4

About (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol

(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol (PubChem CID 57193130) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol.

Molecular Properties

Compound Name(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol
PubChem CID57193130
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol
SMILESO=[N+]([O-])c1ccccc1C[C@@]1(O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C12H15NO6/c14-7-11-10(15)6-12(16,19-11)5-8-3-1-2-4-9(8)13(17)18/h1-4,10-11,14-16H,5-7H2/t10-,11+,12-/m0/s1
InChIKeyMOOXFUYKVRISGE-TUAOUCFPSA-N
XLogP-0.03
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
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

(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol
CID 15224674
(2-nitrophenyl)methanol
CID 11923
[(2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]-3-[3,4,5-tris(phenylmethoxy)benzoyl]oxan-4-yl]-[3,4,5-tris(phenylmethoxy)phenyl]methanone
CID 141041592
[3-(2-nitrophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
CID 129084809
methanol;(2-nitrophenyl)methanol
CID 70046885
6-hydroxy-4,4,5-trimethyl-1-[(2-nitrophenyl)methyl]piperidin-2-one
CID 67229702
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 55147193
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 81209298
6-hydroxy-3,4,4-trimethyl-1-[(2-nitrophenyl)methyl]piperidin-2-one
CID 67229575
2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
CID 83033151
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(2-nitrophenyl)oxane-2,4,5-triol
CID 100936426

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol?
The IUPAC name of (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol (CID 57193130) is (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol.
What is the SMILES notation for (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol?
The canonical SMILES for (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol is O=[N+]([O-])c1ccccc1C[C@@]1(O)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol?
The InChIKey is MOOXFUYKVRISGE-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H15NO6/c14-7-11-10(15)6-12(16,19-11)5-8-3-1-2-4-9(8)13(17)18/h1-4,10-11,14-16H,5-7H2/t10-,11+,12-/m0/s1.
What are the key properties of (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol?
(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol has a molecular weight of 269.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol is sourced from PubChem (CID 57193130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).