3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol

C6H12N2O5 — CID 76553708

IUPAC3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNN=C1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C6H12N2O5/c7-8-3-5(11)4(10)2(1-9)13-6(3)12/h2,4-6,9-12H,1,7H2
InChIKeyGDPFHHFAVQDZFP-UHFFFAOYSA-N
MW192.17 g/mol
LogP-3.27
Rot. Bonds1

About 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol

3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 76553708) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID76553708
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNN=C1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C6H12N2O5/c7-8-3-5(11)4(10)2(1-9)13-6(3)12/h2,4-6,9-12H,1,7H2
InChIKeyGDPFHHFAVQDZFP-UHFFFAOYSA-N
XLogP-3.27
TPSA128.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-3.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
2-bromo-5-(hydroxymethyl)oxolane-3,4-diol
CID 22494825
(2R,3R,4S,5R)-4-bromo-2,5-bis(hydroxymethyl)oxolan-3-ol
CID 132529245
(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol
CID 137348484
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol (CID 76553708) is 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol is NN=C1C(O)OC(CO)C(O)C1O.
What is the InChIKey of 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is GDPFHHFAVQDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5/c7-8-3-5(11)4(10)2(1-9)13-6(3)12/h2,4-6,9-12H,1,7H2.
What are the key properties of 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol?
3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 192.17 g/mol, XLogP of -3.27, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylidene-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 76553708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).