(2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol

C5H10N2O5 — CID 54336462

IUPAC(2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
SMILESNOC1=C(ON)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H10N2O5/c6-11-4-3(9)2(1-8)10-5(4)12-7/h2-3,8-9H,1,6-7H2/t2-,3+/m1/s1
InChIKeyTVVCXAYFVIBFPZ-GBXIJSLDSA-N
MW178.14 g/mol
LogP-2.31
Rot. Bonds3

About (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol

(2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol (PubChem CID 54336462) has the molecular formula C5H10N2O5 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol.

Molecular Properties

Compound Name(2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
PubChem CID54336462
Molecular FormulaC5H10N2O5
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name(2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
SMILESNOC1=C(ON)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H10N2O5/c6-11-4-3(9)2(1-8)10-5(4)12-7/h2-3,8-9H,1,6-7H2/t2-,3+/m1/s1
InChIKeyTVVCXAYFVIBFPZ-GBXIJSLDSA-N
XLogP-2.31
TPSA120.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol?
The IUPAC name of (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol (CID 54336462) is (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol.
What is the SMILES notation for (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol?
The canonical SMILES for (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol is NOC1=C(ON)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol?
The InChIKey is TVVCXAYFVIBFPZ-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H10N2O5/c6-11-4-3(9)2(1-8)10-5(4)12-7/h2-3,8-9H,1,6-7H2/t2-,3+/m1/s1.
What are the key properties of (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol?
(2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol has a molecular weight of 178.14 g/mol, XLogP of -2.31, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol is sourced from PubChem (CID 54336462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).