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

C5H9NO5 — CID 137348484

IUPAC(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@@H]1O/C(=N\O)[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO5/c7-1-2-3(8)4(9)5(6-10)11-2/h2-4,7-10H,1H2/b6-5-/t2-,3-,4+/m0/s1
InChIKeyAVHYWFZJLLOYOD-XXXIWBGBSA-N
MW163.13 g/mol
LogP-2.11
Rot. Bonds1

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

(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 137348484) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID137348484
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@@H]1O/C(=N\O)[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO5/c7-1-2-3(8)4(9)5(6-10)11-2/h2-4,7-10H,1H2/b6-5-/t2-,3-,4+/m0/s1
InChIKeyAVHYWFZJLLOYOD-XXXIWBGBSA-N
XLogP-2.11
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z)-4,5-dihydroxy-2-hydroxyimino-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 6110046
(2R,3S,4S)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
CID 131854316
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
2-(hydroxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinylidene]oxane-3,4,5-triol
CID 91600099
(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
CID 24885981
(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 67026121
(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol
CID 167524314
[(E)-[(3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
CID 6921837
(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one
CID 123518429
(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033372
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol
CID 76553708

Frequently Asked Questions

What is the IUPAC name of (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol (CID 137348484) is (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@@H]1O/C(=N\O)[C@H](O)[C@H]1O.
What is the InChIKey of (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is AVHYWFZJLLOYOD-XXXIWBGBSA-N. The full InChI is InChI=1S/C5H9NO5/c7-1-2-3(8)4(9)5(6-10)11-2/h2-4,7-10H,1H2/b6-5-/t2-,3-,4+/m0/s1.
What are the key properties of (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol?
(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 163.13 g/mol, XLogP of -2.11, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 137348484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).