(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol

C11H13NO7 — CID 66660784

IUPAC(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
SMILESO=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11-/m1/s1
InChIKeyDUYYBTBDYZXISX-CHWFTXMASA-N
MW271.23 g/mol
LogP-0.59
Rot. Bonds4

About (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol

(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol (PubChem CID 66660784) has the molecular formula C11H13NO7 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
PubChem CID66660784
Molecular FormulaC11H13NO7
Molecular Weight271.23 g/mol
Exact Mass271.07
IUPAC Name(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
SMILESO=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11-/m1/s1
InChIKeyDUYYBTBDYZXISX-CHWFTXMASA-N
XLogP-0.59
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol (CID 66660784) is (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol is O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol?
The InChIKey is DUYYBTBDYZXISX-CHWFTXMASA-N. The full InChI is InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol?
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol has a molecular weight of 271.23 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol is sourced from PubChem (CID 66660784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).