5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol

C6H14N2O4 — CID 123477904

IUPAC5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESNNC1COC(CO)C(O)C1O
InChIInChI=1S/C6H14N2O4/c7-8-3-2-12-4(1-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2
InChIKeyJKMNTFWYQPDBBP-UHFFFAOYSA-N
MW178.19 g/mol
LogP-3.07
Rot. Bonds2

About 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol

5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123477904) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID123477904
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESNNC1COC(CO)C(O)C1O
InChIInChI=1S/C6H14N2O4/c7-8-3-2-12-4(1-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2
InChIKeyJKMNTFWYQPDBBP-UHFFFAOYSA-N
XLogP-3.07
TPSA107.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-3.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol
CID 163201287
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 167408601
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol (CID 123477904) is 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol is NNC1COC(CO)C(O)C1O.
What is the InChIKey of 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is JKMNTFWYQPDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c7-8-3-2-12-4(1-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2.
What are the key properties of 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol?
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 178.19 g/mol, XLogP of -3.07, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123477904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).